N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide

C25H34N2O4 — CID 60600445

IUPACN-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Nc2cccc(COC3CCCC(C)C3)c2)c1
InChIInChI=1S/C25H34N2O4/c1-17-7-5-10-22(13-17)31-16-19-8-6-9-20(14-19)26-18(2)25(28)27-23-15-21(29-3)11-12-24(23)30-4/h6,8-9,11-12,14-15,17-18,22,26H,5,7,10,13,16H2,1-4H3,(H,27,28)
InChIKeyQYYSODKDYMLTQC-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.24
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide

N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide (PubChem CID 60600445) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide
PubChem CID60600445
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Nc2cccc(COC3CCCC(C)C3)c2)c1
InChIInChI=1S/C25H34N2O4/c1-17-7-5-10-22(13-17)31-16-19-8-6-9-20(14-19)26-18(2)25(28)27-23-15-21(29-3)11-12-24(23)30-4/h6,8-9,11-12,14-15,17-18,22,26H,5,7,10,13,16H2,1-4H3,(H,27,28)
InChIKeyQYYSODKDYMLTQC-UHFFFAOYSA-N
XLogP5.24
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
CID 86943907
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
CID 120590544
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide
CID 55572382
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86864516
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide (CID 60600445) is N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide is COc1ccc(OC)c(NC(=O)C(C)Nc2cccc(COC3CCCC(C)C3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide?
The InChIKey is QYYSODKDYMLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-17-7-5-10-22(13-17)31-16-19-8-6-9-20(14-19)26-18(2)25(28)27-23-15-21(29-3)11-12-24(23)30-4/h6,8-9,11-12,14-15,17-18,22,26H,5,7,10,13,16H2,1-4H3,(H,27,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide?
N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide has a molecular weight of 426.56 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide is sourced from PubChem (CID 60600445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).