ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane

C35H55N4O4P — CID 143991266

IUPACethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane
SMILESC=C/C(C#C[C@]1(CC)NC(=O)NC1=O)=C\C(=C/C)NCC1CCN(C)CC1.CC.CCc1ccc(OC)cc1C(C)=O.CP
InChIInChI=1S/C21H30N4O2.C11H14O2.C2H6.CH5P/c1-5-16(8-11-21(7-3)19(26)23-20(27)24-21)14-18(6-2)22-15-17-9-12-25(4)13-10-17;1-4-9-5-6-10(13-3)7-11(9)8(2)12;2*1-2/h5-6,14,17,22H,1,7,9-10,12-13,15H2,2-4H3,(H2,23,24,26,27);5-7H,4H2,1-3H3;1-2H3;2H2,1H3/b16-14+,18-6+;;;/t21-;;;/m0.../s1
InChIKeyXMACFUJBZZUDDD-JVYURVQSSA-N
MW626.82 g/mol
LogP5.90
Rot. Bonds9

About ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane

ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane (PubChem CID 143991266) has the molecular formula C35H55N4O4P and a molecular weight of 626.82 g/mol. Its IUPAC name is ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane.

Molecular Properties

Compound Nameethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane
PubChem CID143991266
Molecular FormulaC35H55N4O4P
Molecular Weight626.82 g/mol
Exact Mass626.40
IUPAC Nameethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane
SMILESC=C/C(C#C[C@]1(CC)NC(=O)NC1=O)=C\C(=C/C)NCC1CCN(C)CC1.CC.CCc1ccc(OC)cc1C(C)=O.CP
InChIInChI=1S/C21H30N4O2.C11H14O2.C2H6.CH5P/c1-5-16(8-11-21(7-3)19(26)23-20(27)24-21)14-18(6-2)22-15-17-9-12-25(4)13-10-17;1-4-9-5-6-10(13-3)7-11(9)8(2)12;2*1-2/h5-6,14,17,22H,1,7,9-10,12-13,15H2,2-4H3,(H2,23,24,26,27);5-7H,4H2,1-3H3;1-2H3;2H2,1H3/b16-14+,18-6+;;;/t21-;;;/m0.../s1
InChIKeyXMACFUJBZZUDDD-JVYURVQSSA-N
XLogP5.90
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.82
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]-N'-ethenyl-N-methylmethanimidamide;ethane;1-(2-ethyl-5-methoxyphenyl)ethanone
CID 143990887
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione
CID 143510353
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
1-[4-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 167886409
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
1-[4-methoxy-2-[(E)-1-methoxypent-1-enyl]phenyl]ethanone
CID 166812521
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine
CID 168928022
6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131911083

Frequently Asked Questions

What is the IUPAC name of ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane?
The IUPAC name of ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane (CID 143991266) is ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane.
What is the SMILES notation for ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane?
The canonical SMILES for ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane is C=C/C(C#C[C@]1(CC)NC(=O)NC1=O)=C\C(=C/C)NCC1CCN(C)CC1.CC.CCc1ccc(OC)cc1C(C)=O.CP.
What is the InChIKey of ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane?
The InChIKey is XMACFUJBZZUDDD-JVYURVQSSA-N. The full InChI is InChI=1S/C21H30N4O2.C11H14O2.C2H6.CH5P/c1-5-16(8-11-21(7-3)19(26)23-20(27)24-21)14-18(6-2)22-15-17-9-12-25(4)13-10-17;1-4-9-5-6-10(13-3)7-11(9)8(2)12;2*1-2/h5-6,14,17,22H,1,7,9-10,12-13,15H2,2-4H3,(H2,23,24,26,27);5-7H,4H2,1-3H3;1-2H3;2H2,1H3/b16-14+,18-6+;;;/t21-;;;/m0.../s1.
What are the key properties of ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane?
ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane has a molecular weight of 626.82 g/mol, XLogP of 5.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5S)-5-[(3E,5E)-3-ethenyl-5-[(1-methylpiperidin-4-yl)methylamino]hepta-3,5-dien-1-ynyl]-5-ethylimidazolidine-2,4-dione;1-(2-ethyl-5-methoxyphenyl)ethanone;methylphosphane is sourced from PubChem (CID 143991266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).