N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C17H23NO2 — CID 47148517

IUPACN-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C17H23NO2/c1-11(2)9-14-15(17(14,3)4)16(20)18-10-12-5-7-13(19)8-6-12/h5-9,14-15,19H,10H2,1-4H3,(H,18,20)
InChIKeyDTGOXLJHJJYQCJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 47148517) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID47148517
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C17H23NO2/c1-11(2)9-14-15(17(14,3)4)16(20)18-10-12-5-7-13(19)8-6-12/h5-9,14-15,19H,10H2,1-4H3,(H,18,20)
InChIKeyDTGOXLJHJJYQCJ-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 24560192
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 134023213
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 927580
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51272726
trans-(1S,3S)-3-(2,2-dichloroethenyl)-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 2181553
N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
CID 94183727
N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
CID 60572075
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24559554
trans-(1S,3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94122498
trans-(1S,3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 31859421
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51281385

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 47148517) is N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCc2ccc(O)cc2)C1(C)C.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is DTGOXLJHJJYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)9-14-15(17(14,3)4)16(20)18-10-12-5-7-13(19)8-6-12/h5-9,14-15,19H,10H2,1-4H3,(H,18,20).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47148517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).