methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate

C19H27NO5 — CID 46450947

IUPACmethyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)OCc2cccc(OC)c2)CCCCC1
InChIInChI=1S/C19H27NO5/c1-14(25-13-15-8-7-9-16(12-15)23-2)17(21)20-19(18(22)24-3)10-5-4-6-11-19/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,20,21)
InChIKeyPHUZIFKFMVLXRK-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.59
Rot. Bonds7

About methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate

methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate (PubChem CID 46450947) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
PubChem CID46450947
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namemethyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)OCc2cccc(OC)c2)CCCCC1
InChIInChI=1S/C19H27NO5/c1-14(25-13-15-8-7-9-16(12-15)23-2)17(21)20-19(18(22)24-3)10-5-4-6-11-19/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,20,21)
InChIKeyPHUZIFKFMVLXRK-UHFFFAOYSA-N
XLogP2.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 94024614
4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid
CID 120541639
methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
CID 22111960
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748
3-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540630
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate (CID 46450947) is methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)C(C)OCc2cccc(OC)c2)CCCCC1.
What is the InChIKey of methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate?
The InChIKey is PHUZIFKFMVLXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-14(25-13-15-8-7-9-16(12-15)23-2)17(21)20-19(18(22)24-3)10-5-4-6-11-19/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate?
methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 46450947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).