ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen

C21H43N3O2 — CID 142558253

IUPACethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
SMILESC=C(C[C@H](NC(=O)CCC(C)C)C(=O)NCC)N1CCCC[C@@H]1C.CC.[H][H]
InChIInChI=1S/C19H35N3O2.C2H6.H2/c1-6-20-19(24)17(21-18(23)11-10-14(2)3)13-16(5)22-12-8-7-9-15(22)4;1-2;/h14-15,17H,5-13H2,1-4H3,(H,20,24)(H,21,23);1-2H3;1H/t15-,17-;;/m0../s1
InChIKeyQVBKBQQCIYCXAK-SVNBKUCYSA-N
MW369.59 g/mol
LogP4.09
Rot. Bonds9

About ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen

ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen (PubChem CID 142558253) has the molecular formula C21H43N3O2 and a molecular weight of 369.59 g/mol. Its IUPAC name is ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
PubChem CID142558253
Molecular FormulaC21H43N3O2
Molecular Weight369.59 g/mol
Exact Mass369.34
IUPAC Nameethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
SMILESC=C(C[C@H](NC(=O)CCC(C)C)C(=O)NCC)N1CCCC[C@@H]1C.CC.[H][H]
InChIInChI=1S/C19H35N3O2.C2H6.H2/c1-6-20-19(24)17(21-18(23)11-10-14(2)3)13-16(5)22-12-8-7-9-15(22)4;1-2;/h14-15,17H,5-13H2,1-4H3,(H,20,24)(H,21,23);1-2H3;1H/t15-,17-;;/m0../s1
InChIKeyQVBKBQQCIYCXAK-SVNBKUCYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen 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

9-[(E)-dec-1-enyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926225
9-[(E)-2-methylbut-1-enyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926987
(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
CID 24755409
3,6-Di(butan-2-yl)-5-methylidenepiperazin-2-one
CID 70648150
9-Dec-1-enyl-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 73853488
9-(2-Methylbut-1-enyl)-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 73853490
1-[(1-Ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one
CID 89340985
4-(5-Methylhex-1-en-2-yl)piperazin-2-one
CID 89459520
N-[4-[(4aR)-3,4,4a,5,6,7-hexahydro-2H-quinoxalin-1-yl]-4-oxobutyl]-5-methylhexanamide
CID 91336165
(2S)-2-amino-4-methyl-N-[(2S)-1-(oct-4-en-4-ylamino)-1-oxopropan-2-yl]pentanamide
CID 91579511
2-[[2-[[3-[acetyl(methyl)amino]-3,5-dimethylhex-1-en-2-yl]amino]-3-methylbutanoyl]-methylamino]-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 122466777
1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide
CID 123789006

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen?
The IUPAC name of ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen (CID 142558253) is ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen is C=C(C[C@H](NC(=O)CCC(C)C)C(=O)NCC)N1CCCC[C@@H]1C.CC.[H][H].
What is the InChIKey of ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen?
The InChIKey is QVBKBQQCIYCXAK-SVNBKUCYSA-N. The full InChI is InChI=1S/C19H35N3O2.C2H6.H2/c1-6-20-19(24)17(21-18(23)11-10-14(2)3)13-16(5)22-12-8-7-9-15(22)4;1-2;/h14-15,17H,5-13H2,1-4H3,(H,20,24)(H,21,23);1-2H3;1H/t15-,17-;;/m0../s1.
What are the key properties of ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen?
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen has a molecular weight of 369.59 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen is sourced from PubChem (CID 142558253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).