1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea

C24H26N4O4 — CID 122416480

IUPAC1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
SMILESO=C(Nc1ccc(NC(=O)N(CCO)c2ccccc2)cc1)N(CCO)c1ccccc1
InChIInChI=1S/C24H26N4O4/c29-17-15-27(21-7-3-1-4-8-21)23(31)25-19-11-13-20(14-12-19)26-24(32)28(16-18-30)22-9-5-2-6-10-22/h1-14,29-30H,15-18H2,(H,25,31)(H,26,32)
InChIKeyUQQUBPXUSCGIPA-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.75
Rot. Bonds8

About 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea

1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea (PubChem CID 122416480) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
PubChem CID122416480
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
SMILESO=C(Nc1ccc(NC(=O)N(CCO)c2ccccc2)cc1)N(CCO)c1ccccc1
InChIInChI=1S/C24H26N4O4/c29-17-15-27(21-7-3-1-4-8-21)23(31)25-19-11-13-20(14-12-19)26-24(32)28(16-18-30)22-9-5-2-6-10-22/h1-14,29-30H,15-18H2,(H,25,31)(H,26,32)
InChIKeyUQQUBPXUSCGIPA-UHFFFAOYSA-N
XLogP3.75
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide
CID 71523298
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
1-phenyl-1-propyl-3-pyridin-4-ylurea
CID 134101956
2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethylazanium
CID 7201824
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
1-(aminosulfanylmethyl)-1,3-diphenylurea
CID 90925999
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide
CID 3946929
N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide
CID 42701379
3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 42701383
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea (CID 122416480) is 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea is O=C(Nc1ccc(NC(=O)N(CCO)c2ccccc2)cc1)N(CCO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea?
The InChIKey is UQQUBPXUSCGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-17-15-27(21-7-3-1-4-8-21)23(31)25-19-11-13-20(14-12-19)26-24(32)28(16-18-30)22-9-5-2-6-10-22/h1-14,29-30H,15-18H2,(H,25,31)(H,26,32).
What are the key properties of 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea?
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea has a molecular weight of 434.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea is sourced from PubChem (CID 122416480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).