1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea

C15H25N3O2 — CID 111113058

IUPAC1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)9-12(10-19)16-15(20)17-13-7-5-6-8-14(13)18(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyQEGAIZWPIRBVHV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds6

About 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 111113058) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID111113058
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)9-12(10-19)16-15(20)17-13-7-5-6-8-14(13)18(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyQEGAIZWPIRBVHV-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
(2R)-2-[[2-(dimethylamino)phenyl]carbamoylamino]butanedioic acid
CID 106760427
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 106760369
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
CID 106760371
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111113088
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
CID 5130491
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 111113058) is 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is QEGAIZWPIRBVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)9-12(10-19)16-15(20)17-13-7-5-6-8-14(13)18(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 279.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 111113058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).