N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide

C19H25NO2 — CID 126851440

IUPACN-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
SMILESC=C1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C19H25NO2/c1-15-7-9-17(10-8-15)20-18(21)19(11-13-22-14-12-19)16-5-3-2-4-6-16/h2-6,17H,1,7-14H2,(H,20,21)
InChIKeyNFUQIWPQINWOME-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.35
Rot. Bonds3

About N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide

N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide (PubChem CID 126851440) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
PubChem CID126851440
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
SMILESC=C1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C19H25NO2/c1-15-7-9-17(10-8-15)20-18(21)19(11-13-22-14-12-19)16-5-3-2-4-6-16/h2-6,17H,1,7-14H2,(H,20,21)
InChIKeyNFUQIWPQINWOME-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
CID 122276201
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230001
4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91631673
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 112822610
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066

Frequently Asked Questions

What is the IUPAC name of N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide (CID 126851440) is N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide is C=C1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1.
What is the InChIKey of N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide?
The InChIKey is NFUQIWPQINWOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-7-9-17(10-8-15)20-18(21)19(11-13-22-14-12-19)16-5-3-2-4-6-16/h2-6,17H,1,7-14H2,(H,20,21).
What are the key properties of N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide?
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 126851440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).