N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide

C17H26N2O2 — CID 119610062

IUPACN-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
SMILESNCC1CCCCC1NC(=O)CCOCc1ccccc1
InChIInChI=1S/C17H26N2O2/c18-12-15-8-4-5-9-16(15)19-17(20)10-11-21-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,18H2,(H,19,20)
InChIKeyWWZLQRAMOCSFLT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide

N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide (PubChem CID 119610062) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
PubChem CID119610062
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
SMILESNCC1CCCCC1NC(=O)CCOCc1ccccc1
InChIInChI=1S/C17H26N2O2/c18-12-15-8-4-5-9-16(15)19-17(20)10-11-21-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,18H2,(H,19,20)
InChIKeyWWZLQRAMOCSFLT-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
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-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119612068
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
CID 119475599
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
N-[2-(aminomethyl)cyclopentyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 119600796
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide (CID 119610062) is N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide is NCC1CCCCC1NC(=O)CCOCc1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide?
The InChIKey is WWZLQRAMOCSFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-12-15-8-4-5-9-16(15)19-17(20)10-11-21-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide?
N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 119610062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).