3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide

C16H23NO2 — CID 110306942

IUPAC3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)N[C@@H](C)CO)C2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-11-3-5-13(6-4-11)15(14-7-8-14)9-16(19)17-12(2)10-18/h3-6,12,14-15,18H,7-10H2,1-2H3,(H,17,19)/t12-,15?/m0/s1
InChIKeyOWBWNEOIDLCOQN-SFVWDYPZSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds6

About 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide

3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide (PubChem CID 110306942) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
PubChem CID110306942
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)N[C@@H](C)CO)C2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-11-3-5-13(6-4-11)15(14-7-8-14)9-16(19)17-12(2)10-18/h3-6,12,14-15,18H,7-10H2,1-2H3,(H,17,19)/t12-,15?/m0/s1
InChIKeyOWBWNEOIDLCOQN-SFVWDYPZSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110301493
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110615565
3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide
CID 110307373
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
CID 82080009
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976
N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide
CID 24625904

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide (CID 110306942) is 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide is Cc1ccc(C(CC(=O)N[C@@H](C)CO)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is OWBWNEOIDLCOQN-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-3-5-13(6-4-11)15(14-7-8-14)9-16(19)17-12(2)10-18/h3-6,12,14-15,18H,7-10H2,1-2H3,(H,17,19)/t12-,15?/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide?
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110306942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).