1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide

C24H32N2O2 — CID 98155306

IUPAC1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
SMILESO=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C24H32N2O2/c27-23(25-13-21-10-15-4-6-17(21)8-15)19-2-1-3-20(12-19)24(28)26-14-22-11-16-5-7-18(22)9-16/h1-3,12,15-18,21-22H,4-11,13-14H2,(H,25,27)(H,26,28)/t15-,16+,17-,18-,21+,22+/m1/s1
InChIKeyRMJCSAXLYAXDGY-KVEFOAQZSA-N
MW380.53 g/mol
LogP4.02
Rot. Bonds6

About 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide

1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide (PubChem CID 98155306) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
PubChem CID98155306
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
SMILESO=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C24H32N2O2/c27-23(25-13-21-10-15-4-6-17(21)8-15)19-2-1-3-20(12-19)24(28)26-14-22-11-16-5-7-18(22)9-16/h1-3,12,15-18,21-22H,4-11,13-14H2,(H,25,27)(H,26,28)/t15-,16+,17-,18-,21+,22+/m1/s1
InChIKeyRMJCSAXLYAXDGY-KVEFOAQZSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-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-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxy-3-methylbenzamide
CID 103956855
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
CID 104782928
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(N'-hydroxycarbamimidoyl)benzamide
CID 77017130
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 98755984
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-triethoxybenzamide
CID 60618253
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793

Frequently Asked Questions

What is the IUPAC name of 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide (CID 98155306) is 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide is O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1.
What is the InChIKey of 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide?
The InChIKey is RMJCSAXLYAXDGY-KVEFOAQZSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-23(25-13-21-10-15-4-6-17(21)8-15)19-2-1-3-20(12-19)24(28)26-14-22-11-16-5-7-18(22)9-16/h1-3,12,15-18,21-22H,4-11,13-14H2,(H,25,27)(H,26,28)/t15-,16+,17-,18-,21+,22+/m1/s1.
What are the key properties of 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide?
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide has a molecular weight of 380.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 98155306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).