N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide

C17H26N2O — CID 97068063

IUPACN-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)c1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)10-14(9-12)17(20)18-15-6-5-7-16(11-15)19(3)4/h8-10,15-16H,5-7,11H2,1-4H3,(H,18,20)/t15-,16-/m1/s1
InChIKeyFHVLQKQBMXRBOH-HZPDHXFCSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds3

About N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide

N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide (PubChem CID 97068063) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
PubChem CID97068063
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)c1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)10-14(9-12)17(20)18-15-6-5-7-16(11-15)19(3)4/h8-10,15-16H,5-7,11H2,1-4H3,(H,18,20)/t15-,16-/m1/s1
InChIKeyFHVLQKQBMXRBOH-HZPDHXFCSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide (CID 97068063) is N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)c1.
What is the InChIKey of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide?
The InChIKey is FHVLQKQBMXRBOH-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-13(2)10-14(9-12)17(20)18-15-6-5-7-16(11-15)19(3)4/h8-10,15-16H,5-7,11H2,1-4H3,(H,18,20)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide?
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 97068063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).