N-(3-aminophenyl)-N-propylcyclohexanecarboxamide

C16H24N2O — CID 63229982

IUPACN-(3-aminophenyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(C(=O)C1CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-2-11-18(15-10-6-9-14(17)12-15)16(19)13-7-4-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11,17H2,1H3
InChIKeySAKYEKKXAVJGQH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.59
Rot. Bonds4

About N-(3-aminophenyl)-N-propylcyclohexanecarboxamide

N-(3-aminophenyl)-N-propylcyclohexanecarboxamide (PubChem CID 63229982) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-propylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-propylcyclohexanecarboxamide
PubChem CID63229982
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-aminophenyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(C(=O)C1CCCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-2-11-18(15-10-6-9-14(17)12-15)16(19)13-7-4-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11,17H2,1H3
InChIKeySAKYEKKXAVJGQH-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-propylcyclohexanecarboxamide?
The IUPAC name of N-(3-aminophenyl)-N-propylcyclohexanecarboxamide (CID 63229982) is N-(3-aminophenyl)-N-propylcyclohexanecarboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-propylcyclohexanecarboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-propylcyclohexanecarboxamide is CCCN(C(=O)C1CCCCC1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-propylcyclohexanecarboxamide?
The InChIKey is SAKYEKKXAVJGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-11-18(15-10-6-9-14(17)12-15)16(19)13-7-4-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-propylcyclohexanecarboxamide?
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-propylcyclohexanecarboxamide is sourced from PubChem (CID 63229982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).