N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide

C16H25N3O3 — CID 119713207

IUPACN-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
SMILESCOc1cc(NC(=O)CCCCCCN)ccc1NC(C)=O
InChIInChI=1S/C16H25N3O3/c1-12(20)18-14-9-8-13(11-15(14)22-2)19-16(21)7-5-3-4-6-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWPICUKFMQKMHNM-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.50
Rot. Bonds9

About N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide

N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide (PubChem CID 119713207) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
PubChem CID119713207
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
SMILESCOc1cc(NC(=O)CCCCCCN)ccc1NC(C)=O
InChIInChI=1S/C16H25N3O3/c1-12(20)18-14-9-8-13(11-15(14)22-2)19-16(21)7-5-3-4-6-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWPICUKFMQKMHNM-UHFFFAOYSA-N
XLogP2.50
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide 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

6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide (CID 119713207) is N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide is COc1cc(NC(=O)CCCCCCN)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide?
The InChIKey is WPICUKFMQKMHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(20)18-14-9-8-13(11-15(14)22-2)19-16(21)7-5-3-4-6-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide?
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide has a molecular weight of 307.39 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide is sourced from PubChem (CID 119713207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).