7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide

C19H31N3O2 — CID 119780750

IUPAC7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-14-10-11-15(13-16(14)22-18(24)19(2,3)4)21-17(23)9-7-5-6-8-12-20/h10-11,13H,5-9,12,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKTUSTWRZNZPWFB-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.83
Rot. Bonds8

About 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide

7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide (PubChem CID 119780750) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
PubChem CID119780750
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-14-10-11-15(13-16(14)22-18(24)19(2,3)4)21-17(23)9-7-5-6-8-12-20/h10-11,13H,5-9,12,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKTUSTWRZNZPWFB-UHFFFAOYSA-N
XLogP3.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide 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-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538466
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide (CID 119780750) is 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide is Cc1ccc(NC(=O)CCCCCCN)cc1NC(=O)C(C)(C)C.
What is the InChIKey of 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide?
The InChIKey is KTUSTWRZNZPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14-10-11-15(13-16(14)22-18(24)19(2,3)4)21-17(23)9-7-5-6-8-12-20/h10-11,13H,5-9,12,20H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide?
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide has a molecular weight of 333.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide is sourced from PubChem (CID 119780750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).