1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea

C18H22N4O4 — CID 5094867

IUPAC1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea
SMILESCc1ccc(N(O)C(=O)NCCNC(=O)N(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N4O4/c1-13-3-7-15(8-4-13)21(25)17(23)19-11-12-20-18(24)22(26)16-9-5-14(2)6-10-16/h3-10,25-26H,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUXBQORSIQJOSJX-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.81
Rot. Bonds5

About 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea

1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea (PubChem CID 5094867) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea
PubChem CID5094867
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea
SMILESCc1ccc(N(O)C(=O)NCCNC(=O)N(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N4O4/c1-13-3-7-15(8-4-13)21(25)17(23)19-11-12-20-18(24)22(26)16-9-5-14(2)6-10-16/h3-10,25-26H,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUXBQORSIQJOSJX-UHFFFAOYSA-N
XLogP2.81
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.81
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'}

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Related Compounds

1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea
CID 4299857
1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea
CID 143510984
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
CID 125464018
1-[(carboxyamino)-sulfinatoamino]-4-methylbenzene
CID 57043895
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
CID 78886133
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea?
The IUPAC name of 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea (CID 5094867) is 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea.
What is the SMILES notation for 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea?
The canonical SMILES for 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea is Cc1ccc(N(O)C(=O)NCCNC(=O)N(O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea?
The InChIKey is UXBQORSIQJOSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13-3-7-15(8-4-13)21(25)17(23)19-11-12-20-18(24)22(26)16-9-5-14(2)6-10-16/h3-10,25-26H,11-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea?
1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea has a molecular weight of 358.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea is sourced from PubChem (CID 5094867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).