1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea

C20H32N2O4 — CID 51128627

IUPAC1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea
SMILESCOCCOc1ccc(C(C)NC(=O)N(C)CC2CCCC2)cc1OC
InChIInChI=1S/C20H32N2O4/c1-15(21-20(23)22(2)14-16-7-5-6-8-16)17-9-10-18(19(13-17)25-4)26-12-11-24-3/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3,(H,21,23)
InChIKeyFMILQBGCUIIXMS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.61
Rot. Bonds9

About 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea

1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea (PubChem CID 51128627) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea
PubChem CID51128627
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea
SMILESCOCCOc1ccc(C(C)NC(=O)N(C)CC2CCCC2)cc1OC
InChIInChI=1S/C20H32N2O4/c1-15(21-20(23)22(2)14-16-7-5-6-8-16)17-9-10-18(19(13-17)25-4)26-12-11-24-3/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3,(H,21,23)
InChIKeyFMILQBGCUIIXMS-UHFFFAOYSA-N
XLogP3.61
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
1-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 55809027
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
1-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]urea
CID 52512412

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea?
The IUPAC name of 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea (CID 51128627) is 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea is COCCOc1ccc(C(C)NC(=O)N(C)CC2CCCC2)cc1OC.
What is the InChIKey of 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea?
The InChIKey is FMILQBGCUIIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-15(21-20(23)22(2)14-16-7-5-6-8-16)17-9-10-18(19(13-17)25-4)26-12-11-24-3/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3,(H,21,23).
What are the key properties of 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea?
1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea has a molecular weight of 364.49 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-methylurea is sourced from PubChem (CID 51128627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).