1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea

C18H20N4O4 — CID 46429431

IUPAC1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H20N4O4/c1-11(2)19-18(26)20-13-7-5-6-12(10-13)16(24)21-22-17(25)14-8-3-4-9-15(14)23/h3-11,23H,1-2H3,(H,21,24)(H,22,25)(H2,19,20,26)
InChIKeyJXFYLKIEYQZGER-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.00
Rot. Bonds4

About 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea

1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea (PubChem CID 46429431) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea
PubChem CID46429431
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H20N4O4/c1-11(2)19-18(26)20-13-7-5-6-12(10-13)16(24)21-22-17(25)14-8-3-4-9-15(14)23/h3-11,23H,1-2H3,(H,21,24)(H,22,25)(H2,19,20,26)
InChIKeyJXFYLKIEYQZGER-UHFFFAOYSA-N
XLogP2.00
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]urea
CID 78868165
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
1-propan-2-yl-3-[[3-(propan-2-ylcarbamothioylamino)benzoyl]amino]thiourea
CID 8626475
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
1-[3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea
CID 46437745
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea (CID 46429431) is 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2O)c1.
What is the InChIKey of 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea?
The InChIKey is JXFYLKIEYQZGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11(2)19-18(26)20-13-7-5-6-12(10-13)16(24)21-22-17(25)14-8-3-4-9-15(14)23/h3-11,23H,1-2H3,(H,21,24)(H,22,25)(H2,19,20,26).
What are the key properties of 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea?
1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea has a molecular weight of 356.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 46429431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).