N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide

C17H26N2O — CID 119407911

IUPACN-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
SMILESNCCCNC(=O)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c18-11-4-12-19-17(20)13-14-7-9-16(10-8-14)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13,18H2,(H,19,20)
InChIKeyTWPQYPNDYBSFLJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.82
Rot. Bonds6

About N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide

N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide (PubChem CID 119407911) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
PubChem CID119407911
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
SMILESNCCCNC(=O)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c18-11-4-12-19-17(20)13-14-7-9-16(10-8-14)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13,18H2,(H,19,20)
InChIKeyTWPQYPNDYBSFLJ-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide (CID 119407911) is N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide is NCCCNC(=O)CC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide?
The InChIKey is TWPQYPNDYBSFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-11-4-12-19-17(20)13-14-7-9-16(10-8-14)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13,18H2,(H,19,20).
What are the key properties of N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide?
N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 119407911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).