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

C14H21N3O2 — CID 112687729

IUPAC3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(N)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9(12(18)17-14(2,3)4)16-13(19)10-6-5-7-11(15)8-10/h5-9H,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyCCABPLYXHFGWBK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 112687729) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
PubChem CID112687729
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(N)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9(12(18)17-14(2,3)4)16-13(19)10-6-5-7-11(15)8-10/h5-9H,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyCCABPLYXHFGWBK-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'}

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Related Compounds

2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
benzyl (2S)-2-[(3-aminobenzoyl)amino]propanoate
CID 54284378
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 115674461
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 52771706
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide (CID 112687729) is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(N)c1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is CCABPLYXHFGWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(12(18)17-14(2,3)4)16-13(19)10-6-5-7-11(15)8-10/h5-9H,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
3-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 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 112687729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).