1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea

C21H28N4O4 — CID 55629361

IUPAC1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
SMILESCCC(CCNC(=O)Nc1ccc(OC)cc1)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H28N4O4/c1-4-15(23-21(27)25-17-7-11-19(29-3)12-8-17)13-14-22-20(26)24-16-5-9-18(28-2)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H2,22,24,26)(H2,23,25,27)
InChIKeyLIYPKCYGYFTICV-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.82
Rot. Bonds9

About 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea

1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea (PubChem CID 55629361) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
PubChem CID55629361
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
SMILESCCC(CCNC(=O)Nc1ccc(OC)cc1)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H28N4O4/c1-4-15(23-21(27)25-17-7-11-19(29-3)12-8-17)13-14-22-20(26)24-16-5-9-18(28-2)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H2,22,24,26)(H2,23,25,27)
InChIKeyLIYPKCYGYFTICV-UHFFFAOYSA-N
XLogP3.82
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea 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-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
CID 40625211
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
1-(6-hydroxyhexyl)-3-(4-methoxyphenyl)urea
CID 103918690

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea (CID 55629361) is 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea is CCC(CCNC(=O)Nc1ccc(OC)cc1)NC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea?
The InChIKey is LIYPKCYGYFTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-4-15(23-21(27)25-17-7-11-19(29-3)12-8-17)13-14-22-20(26)24-16-5-9-18(28-2)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H2,22,24,26)(H2,23,25,27).
What are the key properties of 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea?
1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea has a molecular weight of 400.48 g/mol, XLogP of 3.82, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea is sourced from PubChem (CID 55629361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).