1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea

C20H26N4O4 — CID 4299857

IUPAC1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea
SMILESCc1ccc(N(O)C(=O)NCCCCNC(=O)N(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N4O4/c1-15-5-9-17(10-6-15)23(27)19(25)21-13-3-4-14-22-20(26)24(28)18-11-7-16(2)8-12-18/h5-12,27-28H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyYCCSWQXXMMZOHF-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.59
Rot. Bonds7

About 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea

1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea (PubChem CID 4299857) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea
PubChem CID4299857
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea
SMILESCc1ccc(N(O)C(=O)NCCCCNC(=O)N(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N4O4/c1-15-5-9-17(10-6-15)23(27)19(25)21-13-3-4-14-22-20(26)24(28)18-11-7-16(2)8-12-18/h5-12,27-28H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyYCCSWQXXMMZOHF-UHFFFAOYSA-N
XLogP3.59
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)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-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea
CID 5094867
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881396
2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113167668
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea
CID 143510984
2-[(S)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 11902759

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea?
The IUPAC name of 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea (CID 4299857) is 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea.
What is the SMILES notation for 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea?
The canonical SMILES for 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea is Cc1ccc(N(O)C(=O)NCCCCNC(=O)N(O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea?
The InChIKey is YCCSWQXXMMZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-15-5-9-17(10-6-15)23(27)19(25)21-13-3-4-14-22-20(26)24(28)18-11-7-16(2)8-12-18/h5-12,27-28H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea?
1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea has a molecular weight of 386.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea is sourced from PubChem (CID 4299857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).