N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C17H25NO — CID 47161890

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO/c1-11-10-15(11)16(19)18-12(2)13-6-8-14(9-7-13)17(3,4)5/h6-9,11-12,15H,10H2,1-5H3,(H,18,19)
InChIKeyJRMPOLDPJKADOP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.82
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 47161890) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID47161890
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO/c1-11-10-15(11)16(19)18-12(2)13-6-8-14(9-7-13)17(3,4)5/h6-9,11-12,15H,10H2,1-5H3,(H,18,19)
InChIKeyJRMPOLDPJKADOP-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 11895791
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
cis-(1R,2S)-2-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43699491
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 47161890) is N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is CC(NC(=O)C1CC1C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is JRMPOLDPJKADOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-10-15(11)16(19)18-12(2)13-6-8-14(9-7-13)17(3,4)5/h6-9,11-12,15H,10H2,1-5H3,(H,18,19).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 259.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47161890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).