2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide

C14H21N3O2 — CID 65225738

IUPAC2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)C(CN)C(C)C
InChIInChI=1S/C14H21N3O2/c1-9(2)11(8-15)14(19)17-12-7-5-4-6-10(12)13(18)16-3/h4-7,9,11H,8,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPTNPYAGDPZDEIQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.22
Rot. Bonds5

About 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide

2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide (PubChem CID 65225738) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide
PubChem CID65225738
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)C(CN)C(C)C
InChIInChI=1S/C14H21N3O2/c1-9(2)11(8-15)14(19)17-12-7-5-4-6-10(12)13(18)16-3/h4-7,9,11H,8,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPTNPYAGDPZDEIQ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
2-(2-methoxypropanoylamino)-N-methylbenzamide
CID 47302363
2-(aminomethyl)-3-methyl-N-(2-methylsulfonylphenyl)butanamide
CID 65225020
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
CID 65225017
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17354040

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide (CID 65225738) is 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)C(CN)C(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
The InChIKey is PTNPYAGDPZDEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)11(8-15)14(19)17-12-7-5-4-6-10(12)13(18)16-3/h4-7,9,11H,8,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 65225738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).