1-[4-(butan-2-ylamino)phenyl]-3-phenylurea

C17H21N3O — CID 112980502

IUPAC1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
SMILESCCC(C)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-3-13(2)18-15-9-11-16(12-10-15)20-17(21)19-14-7-5-4-6-8-14/h4-13,18H,3H2,1-2H3,(H2,19,20,21)
InChIKeyZQHLUZYASKWJSF-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.54
Rot. Bonds5

About 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea

1-[4-(butan-2-ylamino)phenyl]-3-phenylurea (PubChem CID 112980502) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
PubChem CID112980502
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
SMILESCCC(C)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-3-13(2)18-15-9-11-16(12-10-15)20-17(21)19-14-7-5-4-6-8-14/h4-13,18H,3H2,1-2H3,(H2,19,20,21)
InChIKeyZQHLUZYASKWJSF-UHFFFAOYSA-N
XLogP4.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
5-anilinohexan-3-one
CID 10397682
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea (CID 112980502) is 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea is CCC(C)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea?
The InChIKey is ZQHLUZYASKWJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-13(2)18-15-9-11-16(12-10-15)20-17(21)19-14-7-5-4-6-8-14/h4-13,18H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea?
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea has a molecular weight of 283.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butan-2-ylamino)phenyl]-3-phenylurea is sourced from PubChem (CID 112980502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).