2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide

C15H21N3O2 — CID 79386137

IUPAC2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-10-4-7-13(16)12(9-10)15(20)17-8-2-3-14(19)18-11-5-6-11/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGIMMRSORPUHGKJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.37
Rot. Bonds6

About 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide

2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide (PubChem CID 79386137) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
PubChem CID79386137
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-10-4-7-13(16)12(9-10)15(20)17-8-2-3-14(19)18-11-5-6-11/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGIMMRSORPUHGKJ-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
ethyl 4-[4-[(2,4-dimethylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611649
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 79395352
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
CID 106151335
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide (CID 79386137) is 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCCCC(=O)NC2CC2)c1.
What is the InChIKey of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide?
The InChIKey is GIMMRSORPUHGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-4-7-13(16)12(9-10)15(20)17-8-2-3-14(19)18-11-5-6-11/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide?
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide is sourced from PubChem (CID 79386137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).