N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H21NO — CID 3272708

IUPACN-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C16H21NO/c1-11(13-5-3-2-4-6-13)17-16(18)15-10-12-7-8-14(15)9-12/h2-6,11-12,14-15H,7-10H2,1H3,(H,17,18)
InChIKeyRNJBGBKRHBYLJU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.30
Rot. Bonds3

About N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3272708) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3272708
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C16H21NO/c1-11(13-5-3-2-4-6-13)17-16(18)15-10-12-7-8-14(15)9-12/h2-6,11-12,14-15H,7-10H2,1H3,(H,17,18)
InChIKeyRNJBGBKRHBYLJU-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51296083
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124824450
(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60537972
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
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-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 3272708) is N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1CC2CCC1C2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RNJBGBKRHBYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11(13-5-3-2-4-6-13)17-16(18)15-10-12-7-8-14(15)9-12/h2-6,11-12,14-15H,7-10H2,1H3,(H,17,18).
What are the key properties of N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 3272708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).