4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C20H30N2O6 — CID 100652190

IUPAC4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)Nc2ccc(OC)c(OCCOC)c2)(C(=O)O)CC1
InChIInChI=1S/C20H30N2O6/c1-4-14-7-9-20(10-8-14,18(23)24)22-19(25)21-15-5-6-16(27-3)17(13-15)28-12-11-26-2/h5-6,13-14H,4,7-12H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyRPOABTQFYHVHQO-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.27
Rot. Bonds9

About 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 100652190) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID100652190
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Name4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)Nc2ccc(OC)c(OCCOC)c2)(C(=O)O)CC1
InChIInChI=1S/C20H30N2O6/c1-4-14-7-9-20(10-8-14,18(23)24)22-19(25)21-15-5-6-16(27-3)17(13-15)28-12-11-26-2/h5-6,13-14H,4,7-12H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyRPOABTQFYHVHQO-UHFFFAOYSA-N
XLogP3.27
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 51095402
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119289352
4-ethyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752502
4-[[3-methoxy-4-(3-methoxypropoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122093253
methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate
CID 140597941
2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624151
1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 55624123

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 100652190) is 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)Nc2ccc(OC)c(OCCOC)c2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RPOABTQFYHVHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6/c1-4-14-7-9-20(10-8-14,18(23)24)22-19(25)21-15-5-6-16(27-3)17(13-15)28-12-11-26-2/h5-6,13-14H,4,7-12H2,1-3H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 3.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 100652190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).