1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea

C22H28N2O4 — CID 74231555

IUPAC1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccc(OC)cc2OC)C2CCCC2)cc1
InChIInChI=1S/C22H28N2O4/c1-26-19-12-9-17(10-13-19)23-22(25)24(18-6-4-5-7-18)15-16-8-11-20(27-2)14-21(16)28-3/h8-14,18H,4-7,15H2,1-3H3,(H,23,25)
InChIKeyFSBCJWYNRGFPBB-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.69
Rot. Bonds7

About 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea

1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea (PubChem CID 74231555) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
PubChem CID74231555
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccc(OC)cc2OC)C2CCCC2)cc1
InChIInChI=1S/C22H28N2O4/c1-26-19-12-9-17(10-13-19)23-22(25)24(18-6-4-5-7-18)15-16-8-11-20(27-2)14-21(16)28-3/h8-14,18H,4-7,15H2,1-3H3,(H,23,25)
InChIKeyFSBCJWYNRGFPBB-UHFFFAOYSA-N
XLogP4.69
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
CID 4276870
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 3194862
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430583
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123
3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430768
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1462484
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea
CID 5180319
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-octylthiourea
CID 3256381
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea (CID 74231555) is 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N(Cc2ccc(OC)cc2OC)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is FSBCJWYNRGFPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-12-9-17(10-13-19)23-22(25)24(18-6-4-5-7-18)15-16-8-11-20(27-2)14-21(16)28-3/h8-14,18H,4-7,15H2,1-3H3,(H,23,25).
What are the key properties of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea has a molecular weight of 384.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 74231555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).