4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide

C16H24N2O2 — CID 79527047

IUPAC4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c17-12-13-6-8-14(9-7-13)16(19)18-10-11-20-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2,(H,18,19)
InChIKeyGNELSVCCXCYVQS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.95
Rot. Bonds6

About 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide (PubChem CID 79527047) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
PubChem CID79527047
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c17-12-13-6-8-14(9-7-13)16(19)18-10-11-20-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2,(H,18,19)
InChIKeyGNELSVCCXCYVQS-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.95
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

N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-(2-phenoxyethoxy)cyclopropanecarboxamide
CID 110294647
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 69204145
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide (CID 79527047) is 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCOc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is GNELSVCCXCYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-12-13-6-8-14(9-7-13)16(19)18-10-11-20-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79527047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).