N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide

C19H28N2O4 — CID 40882905

IUPACN-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C19H28N2O4/c1-12-6-5-7-17(13(12)2)21-18(22)11-20-19(23)14-8-15(24-3)10-16(9-14)25-4/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,20,23)(H,21,22)/t12-,13-,17-/m1/s1
InChIKeyXCCJKPFBKMJESS-PBFPGSCMSA-N
MW348.44 g/mol
LogP2.37
Rot. Bonds6

About N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide

N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide (PubChem CID 40882905) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
PubChem CID40882905
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C19H28N2O4/c1-12-6-5-7-17(13(12)2)21-18(22)11-20-19(23)14-8-15(24-3)10-16(9-14)25-4/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,20,23)(H,21,22)/t12-,13-,17-/m1/s1
InChIKeyXCCJKPFBKMJESS-PBFPGSCMSA-N
XLogP2.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide with MolForge

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Related Compounds

[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 11918201
4-(difluoromethoxy)-N-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]benzamide
CID 11919811
methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47303429
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884391
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 11896927
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7783372
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 11915778
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2431386
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 7415886
N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51165959

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide (CID 40882905) is N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1.
What is the InChIKey of N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?
The InChIKey is XCCJKPFBKMJESS-PBFPGSCMSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-12-6-5-7-17(13(12)2)21-18(22)11-20-19(23)14-8-15(24-3)10-16(9-14)25-4/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,20,23)(H,21,22)/t12-,13-,17-/m1/s1.
What are the key properties of N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?
N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide has a molecular weight of 348.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 40882905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).