1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea

C15H25N3O2 — CID 111111753

IUPAC1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
SMILESCCC(CO)NC(=O)Nc1cccc(N(C)C(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-5-12(10-19)16-15(20)17-13-7-6-8-14(9-13)18(4)11(2)3/h6-9,11-12,19H,5,10H2,1-4H3,(H2,16,17,20)
InChIKeyJMIQVFNPKAIUPJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.42
Rot. Bonds6

About 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea

1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea (PubChem CID 111111753) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
PubChem CID111111753
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
SMILESCCC(CO)NC(=O)Nc1cccc(N(C)C(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-5-12(10-19)16-15(20)17-13-7-6-8-14(9-13)18(4)11(2)3/h6-9,11-12,19H,5,10H2,1-4H3,(H2,16,17,20)
InChIKeyJMIQVFNPKAIUPJ-UHFFFAOYSA-N
XLogP2.42
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111926405
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
CID 119883171
2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
CID 95583256
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
CID 56785425
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108895499
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea (CID 111111753) is 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea is CCC(CO)NC(=O)Nc1cccc(N(C)C(C)C)c1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
The InChIKey is JMIQVFNPKAIUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-12(10-19)16-15(20)17-13-7-6-8-14(9-13)18(4)11(2)3/h6-9,11-12,19H,5,10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea has a molecular weight of 279.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea is sourced from PubChem (CID 111111753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).