3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide

C18H25NO2 — CID 110297316

IUPAC3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(C(CC(=O)NCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C18H25NO2/c1-13-4-6-14(7-5-13)17(15-8-9-15)11-18(20)19-12-16-3-2-10-21-16/h4-7,15-17H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyTYRRSYANTGIYBB-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.17
Rot. Bonds6

About 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide

3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 110297316) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID110297316
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(C(CC(=O)NCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C18H25NO2/c1-13-4-6-14(7-5-13)17(15-8-9-15)11-18(20)19-12-16-3-2-10-21-16/h4-7,15-17H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyTYRRSYANTGIYBB-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 43234864
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide (CID 110297316) is 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(C(CC(=O)NCC2CCCO2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is TYRRSYANTGIYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-4-6-14(7-5-13)17(15-8-9-15)11-18(20)19-12-16-3-2-10-21-16/h4-7,15-17H,2-3,8-12H2,1H3,(H,19,20).
What are the key properties of 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 287.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 110297316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).