3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide

C14H21N3O2 — CID 119763189

IUPAC3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
SMILESCC(C)(C)C(=O)NCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13(19)17-8-7-16-12(18)10-5-4-6-11(15)9-10/h4-6,9H,7-8,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyXNKFASFXSQJWKR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide

3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide (PubChem CID 119763189) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
PubChem CID119763189
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
SMILESCC(C)(C)C(=O)NCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13(19)17-8-7-16-12(18)10-5-4-6-11(15)9-10/h4-6,9H,7-8,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyXNKFASFXSQJWKR-UHFFFAOYSA-N
XLogP1.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide (CID 119763189) is 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide is CC(C)(C)C(=O)NCCNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide?
The InChIKey is XNKFASFXSQJWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)13(19)17-8-7-16-12(18)10-5-4-6-11(15)9-10/h4-6,9H,7-8,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide?
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 119763189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).