N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide

C17H22N2O2 — CID 134046553

IUPACN-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16(13-4-2-1-3-5-13)18-8-9-19-17(21)15-11-12-6-7-14(15)10-12/h1-5,12,14-15H,6-11H2,(H,18,20)(H,19,21)
InChIKeyBXQNACSHOSUPGJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.97
Rot. Bonds5

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

N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 134046553) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID134046553
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16(13-4-2-1-3-5-13)18-8-9-19-17(21)15-11-12-6-7-14(15)10-12/h1-5,12,14-15H,6-11H2,(H,18,20)(H,19,21)
InChIKeyBXQNACSHOSUPGJ-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
N-[2-(2-nitroanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 42925036
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 43209946
(1R,2R,4S)-N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 94506132
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 134046553) is N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCNC(=O)C1CC2CCC1C2)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BXQNACSHOSUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(13-4-2-1-3-5-13)18-8-9-19-17(21)15-11-12-6-7-14(15)10-12/h1-5,12,14-15H,6-11H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 134046553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).