(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide

C19H29N3O3 — CID 8760985

IUPAC(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(22(2)13-15-9-11-17(25-3)12-10-15)18(23)21-19(24)20-16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H2,20,21,23,24)/t14-/m0/s1
InChIKeyGDZVZNSHUBNJCP-AWEZNQCLSA-N
MW347.46 g/mol
LogP2.67
Rot. Bonds6

About (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide

(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 8760985) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID8760985
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(22(2)13-15-9-11-17(25-3)12-10-15)18(23)21-19(24)20-16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H2,20,21,23,24)/t14-/m0/s1
InChIKeyGDZVZNSHUBNJCP-AWEZNQCLSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 18094197
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(cyclohexylcarbamoyl)propanamide
CID 22110920
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 55354630
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide (CID 8760985) is (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide is COc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is GDZVZNSHUBNJCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(22(2)13-15-9-11-17(25-3)12-10-15)18(23)21-19(24)20-16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H2,20,21,23,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8760985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).