3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide

C16H24N2O2 — CID 119312788

IUPAC3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
SMILESNCCC(=O)NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-11-10-16(19)18-12-13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,17H2,(H,18,19)
InChIKeyDVGLDVKLCQLOOO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.36
Rot. Bonds6

About 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide

3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide (PubChem CID 119312788) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
PubChem CID119312788
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
SMILESNCCC(=O)NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-11-10-16(19)18-12-13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,17H2,(H,18,19)
InChIKeyDVGLDVKLCQLOOO-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
CID 119312794
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(4-cyclohexyloxyphenyl)methyl]acetamide
CID 60615161
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
CID 119312808
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide (CID 119312788) is 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide is NCCC(=O)NCc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide?
The InChIKey is DVGLDVKLCQLOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-11-10-16(19)18-12-13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,17H2,(H,18,19).
What are the key properties of 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide?
3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide is sourced from PubChem (CID 119312788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).