1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

C19H27NO5 — CID 120544460

IUPAC1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCCCOc1cccc(C(=O)NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H27NO5/c1-24-11-6-12-25-16-8-5-7-15(13-16)17(21)20-14-19(18(22)23)9-3-2-4-10-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,20,21)(H,22,23)
InChIKeyZBOVSIZOILSGPB-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.87
Rot. Bonds9

About 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544460) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544460
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCCCOc1cccc(C(=O)NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H27NO5/c1-24-11-6-12-25-16-8-5-7-15(13-16)17(21)20-14-19(18(22)23)9-3-2-4-10-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,20,21)(H,22,23)
InChIKeyZBOVSIZOILSGPB-UHFFFAOYSA-N
XLogP2.87
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538657
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369254
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
CID 119185603
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544351
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544460) is 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is COCCCOc1cccc(C(=O)NCC2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZBOVSIZOILSGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-24-11-6-12-25-16-8-5-7-15(13-16)17(21)20-14-19(18(22)23)9-3-2-4-10-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).