N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide

C15H21NO2 — CID 71919961

IUPACN-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC(CC(O)c1ccccc1)NC(=O)C1CC1C
InChIInChI=1S/C15H21NO2/c1-10-8-13(10)15(18)16-11(2)9-14(17)12-6-4-3-5-7-12/h3-7,10-11,13-14,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyUAAQTDBOUWOZSO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds5

About N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide

N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 71919961) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID71919961
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC(CC(O)c1ccccc1)NC(=O)C1CC1C
InChIInChI=1S/C15H21NO2/c1-10-8-13(10)15(18)16-11(2)9-14(17)12-6-4-3-5-7-12/h3-7,10-11,13-14,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyUAAQTDBOUWOZSO-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119808297
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
N-(4-hydroxy-4-phenylbutan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337585
trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
CID 124738701
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
CID 120501802
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
4-amino-N-(4-hydroxy-4-phenylbutan-2-yl)butanamide
CID 119337613
4-[(4-hydroxy-4-phenylbutan-2-yl)carbamoylamino]butanoic acid
CID 122022223
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide (CID 71919961) is N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide is CC(CC(O)c1ccccc1)NC(=O)C1CC1C.
What is the InChIKey of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is UAAQTDBOUWOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-8-13(10)15(18)16-11(2)9-14(17)12-6-4-3-5-7-12/h3-7,10-11,13-14,17H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71919961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).