N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide

C17H26N2O — CID 43459677

IUPACN-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-2-11-19(13-14-7-6-10-16(18)12-14)17(20)15-8-4-3-5-9-15/h6-7,10,12,15H,2-5,8-9,11,13,18H2,1H3
InChIKeySPLQHVZODPPSRX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.59
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide

N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide (PubChem CID 43459677) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
PubChem CID43459677
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-2-11-19(13-14-7-6-10-16(18)12-14)17(20)15-8-4-3-5-9-15/h6-7,10,12,15H,2-5,8-9,11,13,18H2,1H3
InChIKeySPLQHVZODPPSRX-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
CID 23850194
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N,N-dibenzylcyclohexanecarboxamide
CID 1371794

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide (CID 43459677) is N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide is CCCN(Cc1cccc(N)c1)C(=O)C1CCCCC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide?
The InChIKey is SPLQHVZODPPSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-11-19(13-14-7-6-10-16(18)12-14)17(20)15-8-4-3-5-9-15/h6-7,10,12,15H,2-5,8-9,11,13,18H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide?
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide is sourced from PubChem (CID 43459677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).