(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide

C19H30N2O3 — CID 11924075

IUPAC(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESCOc1cc(C)c(N[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC
InChIInChI=1S/C19H30N2O3/c1-12-8-6-7-9-15(12)21-19(22)14(3)20-16-11-18(24-5)17(23-4)10-13(16)2/h10-12,14-15,20H,6-9H2,1-5H3,(H,21,22)/t12-,14-,15+/m0/s1
InChIKeySIVGZBSUEVQUJX-AEGPPILISA-N
MW334.46 g/mol
LogP3.51
Rot. Bonds6

About (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide

(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 11924075) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID11924075
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESCOc1cc(C)c(N[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC
InChIInChI=1S/C19H30N2O3/c1-12-8-6-7-9-15(12)21-19(22)14(3)20-16-11-18(24-5)17(23-4)10-13(16)2/h10-12,14-15,20H,6-9H2,1-5H3,(H,21,22)/t12-,14-,15+/m0/s1
InChIKeySIVGZBSUEVQUJX-AEGPPILISA-N
XLogP3.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8660196
4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65044277
2-(4,5-dimethoxy-2-methylanilino)propanoic acid
CID 66173318
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
CID 42982196
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 11925391
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 11925388
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 11924075) is (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide is COc1cc(C)c(N[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC.
What is the InChIKey of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is SIVGZBSUEVQUJX-AEGPPILISA-N. The full InChI is InChI=1S/C19H30N2O3/c1-12-8-6-7-9-15(12)21-19(22)14(3)20-16-11-18(24-5)17(23-4)10-13(16)2/h10-12,14-15,20H,6-9H2,1-5H3,(H,21,22)/t12-,14-,15+/m0/s1.
What are the key properties of (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 11924075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).