N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide

C16H24N2O3 — CID 166986016

IUPACN-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(Cc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C16H24N2O3/c1-3-4-5-6-15(19)18-14(16(17)20)11-12-7-9-13(21-2)10-8-12/h7-10,14H,3-6,11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUHOCLRWBNYHSNK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.79
Rot. Bonds9

About N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide

N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide (PubChem CID 166986016) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide
PubChem CID166986016
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(Cc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C16H24N2O3/c1-3-4-5-6-15(19)18-14(16(17)20)11-12-7-9-13(21-2)10-8-12/h7-10,14H,3-6,11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUHOCLRWBNYHSNK-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
methyl 2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 4502358
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(octanoylamino)butanediamide
CID 162387401
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexadecanamide
CID 46940649
[4-[3-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-(hexanoylamino)-3-oxopropyl]phenyl] dihydrogen phosphite
CID 145413237
ethyl 2-(dodecanoylamino)-4-(4-methoxyphenyl)-4-oxobutanoate
CID 11750865
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 94966664
(2R)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid;(2R)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoic acid;(2R)-2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid;(2R)-2-(hexadecanoylamino)-3-(4-methoxyphenyl)propanoic acid
CID 167578910

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide?
The IUPAC name of N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide (CID 166986016) is N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide.
What is the SMILES notation for N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide?
The canonical SMILES for N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide is CCCCCC(=O)NC(Cc1ccc(OC)cc1)C(N)=O.
What is the InChIKey of N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide?
The InChIKey is UHOCLRWBNYHSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-6-15(19)18-14(16(17)20)11-12-7-9-13(21-2)10-8-12/h7-10,14H,3-6,11H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide?
N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide has a molecular weight of 292.38 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide is sourced from PubChem (CID 166986016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).