(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide

C15H26N2O2 — CID 98532767

IUPAC(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESCC(C)NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NC(C)C
InChIInChI=1S/C15H26N2O2/c1-8(2)16-14(18)12-10-5-6-11(7-10)13(12)15(19)17-9(3)4/h8-13H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t10-,11-,12-,13-/m0/s1
InChIKeyWECMWNXMHMUZED-CYDGBPFRSA-N
MW266.38 g/mol
LogP1.70
Rot. Bonds4

About (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide

(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide (PubChem CID 98532767) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide.

Molecular Properties

Compound Name(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
PubChem CID98532767
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESCC(C)NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NC(C)C
InChIInChI=1S/C15H26N2O2/c1-8(2)16-14(18)12-10-5-6-11(7-10)13(12)15(19)17-9(3)4/h8-13H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t10-,11-,12-,13-/m0/s1
InChIKeyWECMWNXMHMUZED-CYDGBPFRSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-Bicyclo[2.2.1]hept-2-ylethyl)cyclopentanecarboxamide
CID 541723
2-bicyclo[2.2.1]hept-2-yl-N-cyclooctylacetamide
CID 6624535
Bicyclo[2.2.1]heptane-2-carboxylic acid isobutyl-amide
CID 565668
2-Norbornanecarboxamide, N-(3-(diethylamino)propyl)-, hydrochloride
CID 3063898
2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
CID 10264232
N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)acetamide
CID 4033917
2,3-Norbornanedicarboxamide, N,N,N',N'-tetraethyl-
CID 428728
N-butylbicyclo[2.2.1]heptane-2-carboxamide
CID 4986879
N-Methylbicyclo[2.2.1]heptane-2-carboxamide
CID 23525715
N-Cyclopentylbicyclo[2.2.1]heptane-2-carboxamide
CID 4063617
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide
CID 42910304
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114450

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
The IUPAC name of (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide (CID 98532767) is (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide.
What is the SMILES notation for (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
The canonical SMILES for (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide is CC(C)NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NC(C)C.
What is the InChIKey of (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
The InChIKey is WECMWNXMHMUZED-CYDGBPFRSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-8(2)16-14(18)12-10-5-6-11(7-10)13(12)15(19)17-9(3)4/h8-13H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t10-,11-,12-,13-/m0/s1.
What are the key properties of (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide is sourced from PubChem (CID 98532767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).