4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide

C14H19N3O2 — CID 60868348

IUPAC4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-15-14(19)11-4-6-12(7-5-11)17-13(18)9-16-8-10-2-3-10/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyMVXFOSSPKYAKQZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.98
Rot. Bonds6

About 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide

4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide (PubChem CID 60868348) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
PubChem CID60868348
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-15-14(19)11-4-6-12(7-5-11)17-13(18)9-16-8-10-2-3-10/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyMVXFOSSPKYAKQZ-UHFFFAOYSA-N
XLogP0.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
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4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738250
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885631
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide (CID 60868348) is 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide?
The InChIKey is MVXFOSSPKYAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-14(19)11-4-6-12(7-5-11)17-13(18)9-16-8-10-2-3-10/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide?
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 60868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).