N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H23NO — CID 51296083

IUPACN-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CC2CCC1C2
InChIInChI=1S/C18H23NO/c20-18(16-11-12-6-7-15(16)10-12)19-17(14-8-9-14)13-4-2-1-3-5-13/h1-5,12,14-17H,6-11H2,(H,19,20)
InChIKeyWNZDIQJCBBWREB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.69
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51296083) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51296083
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CC2CCC1C2
InChIInChI=1S/C18H23NO/c20-18(16-11-12-6-7-15(16)10-12)19-17(14-8-9-14)13-4-2-1-3-5-13/h1-5,12,14-17H,6-11H2,(H,19,20)
InChIKeyWNZDIQJCBBWREB-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
(1S,2R,4S)-N-(dithiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98872731
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
N-[cyclopropyl(phenyl)methyl]prop-2-enamide
CID 43616558
(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
4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672939
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51296083) is N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NC(c1ccccc1)C1CC1)C1CC2CCC1C2.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WNZDIQJCBBWREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18(16-11-12-6-7-15(16)10-12)19-17(14-8-9-14)13-4-2-1-3-5-13/h1-5,12,14-17H,6-11H2,(H,19,20).
What are the key properties of N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51296083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).