2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide

C15H21N3O3 — CID 119320449

IUPAC2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
SMILESCOc1ccc(NC(=O)CCCN)c(C(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-21-11-6-7-13(18-14(19)3-2-8-16)12(9-11)15(20)17-10-4-5-10/h6-7,9-10H,2-5,8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGHYSGZBBRBGYPZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.26
Rot. Bonds7

About 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide

2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide (PubChem CID 119320449) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
PubChem CID119320449
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
SMILESCOc1ccc(NC(=O)CCCN)c(C(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-21-11-6-7-13(18-14(19)3-2-8-16)12(9-11)15(20)17-10-4-5-10/h6-7,9-10H,2-5,8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGHYSGZBBRBGYPZ-UHFFFAOYSA-N
XLogP1.26
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
N-cyclopropyl-5-methoxy-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119778208
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119778203
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
CID 39194039
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56782337
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide?
The IUPAC name of 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide (CID 119320449) is 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide.
What is the SMILES notation for 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide?
The canonical SMILES for 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide is COc1ccc(NC(=O)CCCN)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide?
The InChIKey is GHYSGZBBRBGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-11-6-7-13(18-14(19)3-2-8-16)12(9-11)15(20)17-10-4-5-10/h6-7,9-10H,2-5,8,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide?
2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide has a molecular weight of 291.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide is sourced from PubChem (CID 119320449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).