N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride

C18H29ClN2O2 — CID 119620109

IUPACN-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
SMILESCl.O=C(CCOc1ccccc1)NCCNC1CCCCCC1
InChIInChI=1S/C18H28N2O2.ClH/c21-18(12-15-22-17-10-6-3-7-11-17)20-14-13-19-16-8-4-1-2-5-9-16;/h3,6-7,10-11,16,19H,1-2,4-5,8-9,12-15H2,(H,20,21);1H
InChIKeyRHZCDWAXVSWBBP-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride (PubChem CID 119620109) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
PubChem CID119620109
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
SMILESCl.O=C(CCOc1ccccc1)NCCNC1CCCCCC1
InChIInChI=1S/C18H28N2O2.ClH/c21-18(12-15-22-17-10-6-3-7-11-17)20-14-13-19-16-8-4-1-2-5-9-16;/h3,6-7,10-11,16,19H,1-2,4-5,8-9,12-15H2,(H,20,21);1H
InChIKeyRHZCDWAXVSWBBP-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
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N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride (CID 119620109) is N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride is Cl.O=C(CCOc1ccccc1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
The InChIKey is RHZCDWAXVSWBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c21-18(12-15-22-17-10-6-3-7-11-17)20-14-13-19-16-8-4-1-2-5-9-16;/h3,6-7,10-11,16,19H,1-2,4-5,8-9,12-15H2,(H,20,21);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride is sourced from PubChem (CID 119620109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).