N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide

C16H23NO2 — CID 61246338

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-12(2)10-14(11-18)17-15(19)16(8-9-16)13-6-4-3-5-7-13/h3-7,12,14,18H,8-11H2,1-2H3,(H,17,19)
InChIKeyXSDROHHJXGKKKI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.24
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 61246338) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
PubChem CID61246338
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-12(2)10-14(11-18)17-15(19)16(8-9-16)13-6-4-3-5-7-13/h3-7,12,14,18H,8-11H2,1-2H3,(H,17,19)
InChIKeyXSDROHHJXGKKKI-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
CID 11543898
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 129478894
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone
CID 130330384
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 43390346
N-(1-aminohexan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 80698357
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide (CID 61246338) is N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide is CC(C)CC(CO)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is XSDROHHJXGKKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)10-14(11-18)17-15(19)16(8-9-16)13-6-4-3-5-7-13/h3-7,12,14,18H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 61246338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).