3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

C19H29NO3 — CID 51723970

IUPAC3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESCOc1cccc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1OC
InChIInChI=1S/C19H29NO3/c1-13-7-5-9-16(14(13)2)20-18(21)12-11-15-8-6-10-17(22-3)19(15)23-4/h6,8,10,13-14,16H,5,7,9,11-12H2,1-4H3,(H,20,21)/t13-,14-,16-/m1/s1
InChIKeyMSANAUHGEBQFEO-IIAWOOMASA-N
MW319.44 g/mol
LogP3.58
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 51723970) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
PubChem CID51723970
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESCOc1cccc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1OC
InChIInChI=1S/C19H29NO3/c1-13-7-5-9-16(14(13)2)20-18(21)12-11-15-8-6-10-17(22-3)19(15)23-4/h6,8,10,13-14,16H,5,7,9,11-12H2,1-4H3,(H,20,21)/t13-,14-,16-/m1/s1
InChIKeyMSANAUHGEBQFEO-IIAWOOMASA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51165959
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 6154737
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 4577499
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]thiourea
CID 11945809
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 29182445
3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 43309134
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 3937719
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 11935118

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (CID 51723970) is 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is COc1cccc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is MSANAUHGEBQFEO-IIAWOOMASA-N. The full InChI is InChI=1S/C19H29NO3/c1-13-7-5-9-16(14(13)2)20-18(21)12-11-15-8-6-10-17(22-3)19(15)23-4/h6,8,10,13-14,16H,5,7,9,11-12H2,1-4H3,(H,20,21)/t13-,14-,16-/m1/s1.
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 319.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 51723970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).