2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide

C14H21N3O2 — CID 112687775

IUPAC2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9(12(18)17-14(2,3)4)16-13(19)10-7-5-6-8-11(10)15/h5-9H,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyZZWFCTIFASQOPV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide

2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 112687775) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
PubChem CID112687775
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9(12(18)17-14(2,3)4)16-13(19)10-7-5-6-8-11(10)15/h5-9H,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyZZWFCTIFASQOPV-UHFFFAOYSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]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

(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
2-[(2-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 61213819
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 47401062
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide (CID 112687775) is 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1N)C(=O)NC(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is ZZWFCTIFASQOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(12(18)17-14(2,3)4)16-13(19)10-7-5-6-8-11(10)15/h5-9H,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 112687775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).