1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid

C19H27NO5 — CID 120539762

IUPAC1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C(=O)N(C)C2(C(=O)O)CCCCC2)ccc1OC(C)C
InChIInChI=1S/C19H27NO5/c1-13(2)25-15-9-8-14(12-16(15)24-4)17(21)20(3)19(18(22)23)10-6-5-7-11-19/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,23)
InChIKeyLVCZSINDNUYROZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.34
Rot. Bonds6

About 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid

1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539762) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539762
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C(=O)N(C)C2(C(=O)O)CCCCC2)ccc1OC(C)C
InChIInChI=1S/C19H27NO5/c1-13(2)25-15-9-8-14(12-16(15)24-4)17(21)20(3)19(18(22)23)10-6-5-7-11-19/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,23)
InChIKeyLVCZSINDNUYROZ-UHFFFAOYSA-N
XLogP3.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid 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-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540043
1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598
1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539358
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250
1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539733
1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539554
N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120690006
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
(1R,5S)-3-(3-methoxy-4-propan-2-yloxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135093933
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid (CID 120539762) is 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid is COc1cc(C(=O)N(C)C2(C(=O)O)CCCCC2)ccc1OC(C)C.
What is the InChIKey of 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LVCZSINDNUYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-13(2)25-15-9-8-14(12-16(15)24-4)17(21)20(3)19(18(22)23)10-6-5-7-11-19/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,23).
What are the key properties of 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid?
1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).