N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide

C15H21N3O2 — CID 120568117

IUPACN-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1ccc(N)cc1NC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C15H21N3O2/c1-10-4-7-12(16)9-13(10)18-14(19)3-2-8-17-15(20)11-5-6-11/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeySTZLACYVIDFPSM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.82
Rot. Bonds6

About N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide

N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 120568117) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
PubChem CID120568117
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1ccc(N)cc1NC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C15H21N3O2/c1-10-4-7-12(16)9-13(10)18-14(19)3-2-8-17-15(20)11-5-6-11/h4,7,9,11H,2-3,5-6,8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeySTZLACYVIDFPSM-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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

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N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
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N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
CID 120568203
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 86860358
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
CID 62116315
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 75526048

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide (CID 120568117) is N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide is Cc1ccc(N)cc1NC(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is STZLACYVIDFPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-4-7-12(16)9-13(10)18-14(19)3-2-8-17-15(20)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 N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide?
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 120568117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).