N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide

C19H31N3O2 — CID 119656491

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide
SMILESCc1cc(C(=O)N(C)CC(C)(C)CN)ccc1NC(=O)CC(C)C
InChIInChI=1S/C19H31N3O2/c1-13(2)9-17(23)21-16-8-7-15(10-14(16)3)18(24)22(6)12-19(4,5)11-20/h7-8,10,13H,9,11-12,20H2,1-6H3,(H,21,23)
InChIKeyOEOGGPVCJODKNI-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.04
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide (PubChem CID 119656491) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide
PubChem CID119656491
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide
SMILESCc1cc(C(=O)N(C)CC(C)(C)CN)ccc1NC(=O)CC(C)C
InChIInChI=1S/C19H31N3O2/c1-13(2)9-17(23)21-16-8-7-15(10-14(16)3)18(24)22(6)12-19(4,5)11-20/h7-8,10,13H,9,11-12,20H2,1-6H3,(H,21,23)
InChIKeyOEOGGPVCJODKNI-UHFFFAOYSA-N
XLogP3.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide 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-[methyl-[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]acetic acid
CID 119172245
3-[methyl-[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119232948
N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119660831
N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119630091
N-(3-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
4-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168800
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
CID 119503824
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
CID 119656442
(2R)-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119244295

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide (CID 119656491) is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide is Cc1cc(C(=O)N(C)CC(C)(C)CN)ccc1NC(=O)CC(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide?
The InChIKey is OEOGGPVCJODKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)9-17(23)21-16-8-7-15(10-14(16)3)18(24)22(6)12-19(4,5)11-20/h7-8,10,13H,9,11-12,20H2,1-6H3,(H,21,23).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide?
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide has a molecular weight of 333.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 119656491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).