4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide

C14H21N3O2 — CID 119522347

IUPAC4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C14H21N3O2/c1-10(18)16-8-11-4-6-12(7-5-11)13(19)17-14(2,3)9-15/h4-7H,8-9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBGJBWIFIIBDSQE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.79
Rot. Bonds5

About 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide

4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide (PubChem CID 119522347) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide
PubChem CID119522347
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C14H21N3O2/c1-10(18)16-8-11-4-6-12(7-5-11)13(19)17-14(2,3)9-15/h4-7H,8-9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBGJBWIFIIBDSQE-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
CID 119521783
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-(acetamidomethyl)benzoyl chloride
CID 13131539
N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
4-(acetamidomethyl)benzoate
CID 4573914
N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119521328
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119598107
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide (CID 119522347) is 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide is CC(=O)NCc1ccc(C(=O)NC(C)(C)CN)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide?
The InChIKey is BGJBWIFIIBDSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(18)16-8-11-4-6-12(7-5-11)13(19)17-14(2,3)9-15/h4-7H,8-9,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide?
4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(1-amino-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 119522347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).