N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide

C21H29N3O2 — CID 69001910

IUPACN-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESNC[C@@H](N)CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29N3O2/c22-15-19(23)8-4-5-13-24-21(25)14-17-9-11-20(12-10-17)26-16-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-16,22-23H2,(H,24,25)/t19-/m0/s1
InChIKeyWGJJCLMQXRQNSP-IBGZPJMESA-N
MW355.48 g/mol
LogP2.38
Rot. Bonds11

About N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide

N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 69001910) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID69001910
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESNC[C@@H](N)CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29N3O2/c22-15-19(23)8-4-5-13-24-21(25)14-17-9-11-20(12-10-17)26-16-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-16,22-23H2,(H,24,25)/t19-/m0/s1
InChIKeyWGJJCLMQXRQNSP-IBGZPJMESA-N
XLogP2.38
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide 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

2-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-6-[(2-phenylacetyl)amino]hexanamide
CID 141273853
[1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-6-[[2-(4-phenylmethoxyphenyl)acetyl]amino]hexan-2-yl]-trimethylazanium
CID 58398836
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927
methyl (2R)-6-[(2-phenylacetyl)amino]-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]hexanoate
CID 99648353
potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate
CID 23703834
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
CID 119763496
N-[(2S)-1-[3-[3-(4-aminobutylamino)propylamino]propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]butanamide
CID 14608133
N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide
CID 171755707
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide (CID 69001910) is N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide is NC[C@@H](N)CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is WGJJCLMQXRQNSP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O2/c22-15-19(23)8-4-5-13-24-21(25)14-17-9-11-20(12-10-17)26-16-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-16,22-23H2,(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide?
N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 2.38, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 69001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).