N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide

C15H22N2O — CID 43135948

IUPACN-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
SMILESCc1ccc(N(CCCN)C(=O)C2CCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-6-8-14(9-7-12)17(11-3-10-16)15(18)13-4-2-5-13/h6-9,13H,2-5,10-11,16H2,1H3
InChIKeyJWPNCLQWRLLLNV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.48
Rot. Bonds5

About N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide

N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide (PubChem CID 43135948) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
PubChem CID43135948
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
SMILESCc1ccc(N(CCCN)C(=O)C2CCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-6-8-14(9-7-12)17(11-3-10-16)15(18)13-4-2-5-13/h6-9,13H,2-5,10-11,16H2,1H3
InChIKeyJWPNCLQWRLLLNV-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 107174469
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
CID 63011144
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107
N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 106825938
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 43135941
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide (CID 43135948) is N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide is Cc1ccc(N(CCCN)C(=O)C2CCC2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide?
The InChIKey is JWPNCLQWRLLLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-6-8-14(9-7-12)17(11-3-10-16)15(18)13-4-2-5-13/h6-9,13H,2-5,10-11,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide?
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 43135948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).