2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide

C15H23N3O3 — CID 81086454

IUPAC2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)CCCOC)cc1
InChIInChI=1S/C15H23N3O3/c1-3-14(19)17-11-6-8-12(9-7-11)18-15(20)13(16)5-4-10-21-2/h6-9,13H,3-5,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDBHCEKISOFLIDQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.73
Rot. Bonds8

About 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide

2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide (PubChem CID 81086454) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
PubChem CID81086454
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)CCCOC)cc1
InChIInChI=1S/C15H23N3O3/c1-3-14(19)17-11-6-8-12(9-7-11)18-15(20)13(16)5-4-10-21-2/h6-9,13H,3-5,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDBHCEKISOFLIDQ-UHFFFAOYSA-N
XLogP1.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide 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

methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide (CID 81086454) is 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide is CCC(=O)Nc1ccc(NC(=O)C(N)CCCOC)cc1.
What is the InChIKey of 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide?
The InChIKey is DBHCEKISOFLIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-14(19)17-11-6-8-12(9-7-11)18-15(20)13(16)5-4-10-21-2/h6-9,13H,3-5,10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide?
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide has a molecular weight of 293.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide is sourced from PubChem (CID 81086454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).