N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide

C18H21NO2 — CID 110001055

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-18(2,11-20)19-17(21)16-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-16,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyJKWKEFPGSYNINY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.83
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide (PubChem CID 110001055) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
PubChem CID110001055
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c1-18(2,11-20)19-17(21)16-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-16,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyJKWKEFPGSYNINY-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119998352
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
methyl (Z)-3-methoxy-2-(2-naphthalen-2-ylcyclopropyl)prop-2-enoate
CID 20832387

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide (CID 110001055) is N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide is CC(C)(CO)NC(=O)C1CC1c1ccc2ccccc2c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The InChIKey is JKWKEFPGSYNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,11-20)19-17(21)16-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-16,20H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110001055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).