N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C16H29NO — CID 75689779

IUPACN-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-15(2,3)10-16(4,5)17-14(18)13-9-11-6-7-12(13)8-11/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyCNJDCFIWRXTKAW-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.75
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 75689779) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID75689779
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-15(2,3)10-16(4,5)17-14(18)13-9-11-6-7-12(13)8-11/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyCNJDCFIWRXTKAW-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 98785433
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide
CID 82726517
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
(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
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
(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
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-(2-methyl-2-piperidin-1-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134057103
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114177972

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 75689779) is N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(C)CC(C)(C)NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CNJDCFIWRXTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-15(2,3)10-16(4,5)17-14(18)13-9-11-6-7-12(13)8-11/h11-13H,6-10H2,1-5H3,(H,17,18).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 251.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 75689779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).