N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H30N2O2 — CID 4122681

IUPACN-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C19H30N2O2/c22-18(16-10-12-2-4-14(16)8-12)20-6-1-7-21-19(23)17-11-13-3-5-15(17)9-13/h12-17H,1-11H2,(H,20,22)(H,21,23)
InChIKeyNBNMCENFLPVKGI-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.48
Rot. Bonds6

About N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 4122681) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID4122681
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C19H30N2O2/c22-18(16-10-12-2-4-14(16)8-12)20-6-1-7-21-19(23)17-11-13-3-5-15(17)9-13/h12-17H,1-11H2,(H,20,22)(H,21,23)
InChIKeyNBNMCENFLPVKGI-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.48
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-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107321626
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
3-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 23306656
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079828
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138

Frequently Asked Questions

What is the IUPAC name of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 4122681) is N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NBNMCENFLPVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-18(16-10-12-2-4-14(16)8-12)20-6-1-7-21-19(23)17-11-13-3-5-15(17)9-13/h12-17H,1-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 4122681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).