N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide

C19H27NO2 — CID 51078296

IUPACN-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)C1CCOCC1
InChIInChI=1S/C19H27NO2/c21-18(16-9-13-22-14-10-16)20-15-19(11-5-2-6-12-19)17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,20,21)
InChIKeyIKKFSSHCSOHNFF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.43
Rot. Bonds4

About N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide

N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide (PubChem CID 51078296) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
PubChem CID51078296
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)C1CCOCC1
InChIInChI=1S/C19H27NO2/c21-18(16-9-13-22-14-10-16)20-15-19(11-5-2-6-12-19)17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,20,21)
InChIKeyIKKFSSHCSOHNFF-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346946
(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
CID 95195230
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155940030

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide (CID 51078296) is N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide is O=C(NCC1(c2ccccc2)CCCCC1)C1CCOCC1.
What is the InChIKey of N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide?
The InChIKey is IKKFSSHCSOHNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18(16-9-13-22-14-10-16)20-15-19(11-5-2-6-12-19)17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,20,21).
What are the key properties of N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide?
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 51078296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).