N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide

C18H28N2O — CID 62586297

IUPACN-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
SMILESCc1ccccc1N(CCCN)C(=O)C1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-15-9-6-7-12-17(15)20(14-8-13-19)18(21)16-10-4-2-3-5-11-16/h6-7,9,12,16H,2-5,8,10-11,13-14,19H2,1H3
InChIKeyHAFNPBPQJJXHRO-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.65
Rot. Bonds5

About N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide

N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide (PubChem CID 62586297) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
PubChem CID62586297
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
SMILESCc1ccccc1N(CCCN)C(=O)C1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-15-9-6-7-12-17(15)20(14-8-13-19)18(21)16-10-4-2-3-5-11-16/h6-7,9,12,16H,2-5,8,10-11,13-14,19H2,1H3
InChIKeyHAFNPBPQJJXHRO-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
CID 114824117
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
CID 145182174
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide (CID 62586297) is N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide is Cc1ccccc1N(CCCN)C(=O)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide?
The InChIKey is HAFNPBPQJJXHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-9-6-7-12-17(15)20(14-8-13-19)18(21)16-10-4-2-3-5-11-16/h6-7,9,12,16H,2-5,8,10-11,13-14,19H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide?
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.65, 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-(2-methylphenyl)cycloheptanecarboxamide is sourced from PubChem (CID 62586297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).