ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene

C37H59F2N5O2 — CID 142956295

IUPACethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene
SMILESC/C=C\C(C)=C/CC.C=CN(C(C)C=O)N(C)CC(=O)NCCN(C)CCc1ccc(F)cc1.CC.CNCc1ccc(F)cc1
InChIInChI=1S/C19H29FN4O2.C8H10FN.C8H14.C2H6/c1-5-24(16(2)15-25)23(4)14-19(26)21-11-13-22(3)12-10-17-6-8-18(20)9-7-17;1-10-6-7-2-4-8(9)5-3-7;1-4-6-8(3)7-5-2;1-2/h5-9,15-16H,1,10-14H2,2-4H3,(H,21,26);2-5,10H,6H2,1H3;4,6-7H,5H2,1-3H3;1-2H3/b;;6-4-,8-7-;
InChIKeyFQPJMLPYFONWMW-IVRVMCENSA-N
MW643.91 g/mol
LogP6.79
Rot. Bonds16

About ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene

ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene (PubChem CID 142956295) has the molecular formula C37H59F2N5O2 and a molecular weight of 643.91 g/mol. Its IUPAC name is ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene.

Molecular Properties

Compound Nameethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene
PubChem CID142956295
Molecular FormulaC37H59F2N5O2
Molecular Weight643.91 g/mol
Exact Mass643.46
IUPAC Nameethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene
SMILESC/C=C\C(C)=C/CC.C=CN(C(C)C=O)N(C)CC(=O)NCCN(C)CCc1ccc(F)cc1.CC.CNCc1ccc(F)cc1
InChIInChI=1S/C19H29FN4O2.C8H10FN.C8H14.C2H6/c1-5-24(16(2)15-25)23(4)14-19(26)21-11-13-22(3)12-10-17-6-8-18(20)9-7-17;1-10-6-7-2-4-8(9)5-3-7;1-4-6-8(3)7-5-2;1-2/h5-9,15-16H,1,10-14H2,2-4H3,(H,21,26);2-5,10H,6H2,1H3;4,6-7H,5H2,1-3H3;1-2H3/b;;6-4-,8-7-;
InChIKeyFQPJMLPYFONWMW-IVRVMCENSA-N
XLogP6.79
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.91
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene with MolForge

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113116151
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
(E)-4-[2-(4-fluorophenyl)ethyl-methylamino]but-2-enoic acid
CID 115237336
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 95907538
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene?
The IUPAC name of ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene (CID 142956295) is ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene.
What is the SMILES notation for ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene?
The canonical SMILES for ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene is C/C=C\C(C)=C/CC.C=CN(C(C)C=O)N(C)CC(=O)NCCN(C)CCc1ccc(F)cc1.CC.CNCc1ccc(F)cc1.
What is the InChIKey of ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene?
The InChIKey is FQPJMLPYFONWMW-IVRVMCENSA-N. The full InChI is InChI=1S/C19H29FN4O2.C8H10FN.C8H14.C2H6/c1-5-24(16(2)15-25)23(4)14-19(26)21-11-13-22(3)12-10-17-6-8-18(20)9-7-17;1-10-6-7-2-4-8(9)5-3-7;1-4-6-8(3)7-5-2;1-2/h5-9,15-16H,1,10-14H2,2-4H3,(H,21,26);2-5,10H,6H2,1H3;4,6-7H,5H2,1-3H3;1-2H3/b;;6-4-,8-7-;.
What are the key properties of ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene?
ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene has a molecular weight of 643.91 g/mol, XLogP of 6.79, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[ethenyl(1-oxopropan-2-yl)amino]-methylamino]-N-[2-[2-(4-fluorophenyl)ethyl-methylamino]ethyl]acetamide;1-(4-fluorophenyl)-N-methylmethanamine;(2Z,4Z)-4-methylhepta-2,4-diene is sourced from PubChem (CID 142956295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).