N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide

C19H30N2O2 — CID 70883939

IUPACN-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide
SMILESCCCCCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C19H30N2O2/c1-5-6-7-8-9-16(17(20)22)21-18(23)14-10-12-15(13-11-14)19(2,3)4/h10-13,16H,5-9H2,1-4H3,(H2,20,22)(H,21,23)
InChIKeyZUMGWYKLDIWBHH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.54
Rot. Bonds8

About N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide

N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide (PubChem CID 70883939) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide
PubChem CID70883939
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide
SMILESCCCCCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C19H30N2O2/c1-5-6-7-8-9-16(17(20)22)21-18(23)14-10-12-15(13-11-14)19(2,3)4/h10-13,16H,5-9H2,1-4H3,(H2,20,22)(H,21,23)
InChIKeyZUMGWYKLDIWBHH-UHFFFAOYSA-N
XLogP3.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide 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

4-methyl-N-(2-oxodecan-3-yl)benzamide
CID 174640324
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide
CID 119068625
N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide
CID 126449357
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982727
2-anilinoheptanamide
CID 61005049
methyl (2S)-2-[(4-aminobenzoyl)amino]hexanoate
CID 59948600
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide?
The IUPAC name of N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide (CID 70883939) is N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide?
The canonical SMILES for N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide is CCCCCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide?
The InChIKey is ZUMGWYKLDIWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-6-7-8-9-16(17(20)22)21-18(23)14-10-12-15(13-11-14)19(2,3)4/h10-13,16H,5-9H2,1-4H3,(H2,20,22)(H,21,23).
What are the key properties of N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide?
N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide has a molecular weight of 318.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide is sourced from PubChem (CID 70883939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).