1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide

C19H29NO3 — CID 100734559

IUPAC1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC(C)CC1
InChIInChI=1S/C19H29NO3/c1-6-23-19(9-7-13(2)8-10-19)18(21)20-16-11-14(3)17(22-5)15(4)12-16/h11-13H,6-10H2,1-5H3,(H,20,21)
InChIKeyXHACSDPNPTUVSJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.24
Rot. Bonds5

About 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide

1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 100734559) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide
PubChem CID100734559
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC(C)CC1
InChIInChI=1S/C19H29NO3/c1-6-23-19(9-7-13(2)8-10-19)18(21)20-16-11-14(3)17(22-5)15(4)12-16/h11-13H,6-10H2,1-5H3,(H,20,21)
InChIKeyXHACSDPNPTUVSJ-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100717133
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246436
methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate
CID 100763011
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708507
methyl 2-ethoxy-5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100763017
trans-(1S,3R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733660
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100730131
trans-(1R,3S)-N-(4-ethoxy-3,5-dimethylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707319
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731598
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734054
N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734045
ethyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
CID 100763068

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide (CID 100734559) is 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide is CCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC(C)CC1.
What is the InChIKey of 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is XHACSDPNPTUVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-23-19(9-7-13(2)8-10-19)18(21)20-16-11-14(3)17(22-5)15(4)12-16/h11-13H,6-10H2,1-5H3,(H,20,21).
What are the key properties of 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide?
1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100734559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).