N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide

C16H21NO2 — CID 110873037

IUPACN-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
SMILESCc1cccc(C(=O)N(C2CCOCC2)C2CC2)c1
InChIInChI=1S/C16H21NO2/c1-12-3-2-4-13(11-12)16(18)17(14-5-6-14)15-7-9-19-10-8-15/h2-4,11,14-15H,5-10H2,1H3
InChIKeyGRONQOSTNQLBRW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds3

About N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide

N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide (PubChem CID 110873037) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
PubChem CID110873037
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
SMILESCc1cccc(C(=O)N(C2CCOCC2)C2CC2)c1
InChIInChI=1S/C16H21NO2/c1-12-3-2-4-13(11-12)16(18)17(14-5-6-14)15-7-9-19-10-8-15/h2-4,11,14-15H,5-10H2,1H3
InChIKeyGRONQOSTNQLBRW-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91916255
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
CID 82744004
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
CID 143724449
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873099
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
CID 66181460
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
CID 158964319

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide (CID 110873037) is N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide is Cc1cccc(C(=O)N(C2CCOCC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is GRONQOSTNQLBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-3-2-4-13(11-12)16(18)17(14-5-6-14)15-7-9-19-10-8-15/h2-4,11,14-15H,5-10H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide?
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 259.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 110873037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).