N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide

C18H28N2O2 — CID 109013977

IUPACN-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-22-17-10-6-5-7-15(17)11-13-19-14-12-18(21)20-16-8-3-2-4-9-16/h5-7,10,16,19H,2-4,8-9,11-14H2,1H3,(H,20,21)
InChIKeyPFMAOQQZFNGSEU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds8

About N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide

N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide (PubChem CID 109013977) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
PubChem CID109013977
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-22-17-10-6-5-7-15(17)11-13-19-14-12-18(21)20-16-8-3-2-4-9-16/h5-7,10,16,19H,2-4,8-9,11-14H2,1H3,(H,20,21)
InChIKeyPFMAOQQZFNGSEU-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.67
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-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25369260
N-cyclopentyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42217184
N-cyclohexyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789356
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-cyclohexyl-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109274671
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
CID 113162917
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide (CID 109013977) is N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide is COc1ccccc1CCNCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The InChIKey is PFMAOQQZFNGSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-22-17-10-6-5-7-15(17)11-13-19-14-12-18(21)20-16-8-3-2-4-9-16/h5-7,10,16,19H,2-4,8-9,11-14H2,1H3,(H,20,21).
What are the key properties of N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109013977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).