1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea

C16H26N2O2 — CID 110922244

IUPAC1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea
SMILESCCC(CO)NC(=O)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-5-13(10-19)18-15(20)17-11-16(3,4)14-9-7-6-8-12(14)2/h6-9,13,19H,5,10-11H2,1-4H3,(H2,17,18,20)
InChIKeyNKONIPCNHGYAQK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds6

About 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea

1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea (PubChem CID 110922244) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea
PubChem CID110922244
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea
SMILESCCC(CO)NC(=O)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-5-13(10-19)18-15(20)17-11-16(3,4)14-9-7-6-8-12(14)2/h6-9,13,19H,5,10-11H2,1-4H3,(H2,17,18,20)
InChIKeyNKONIPCNHGYAQK-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide
CID 115188479
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 113351911
1-(1-hydroxybutan-2-yl)-3-(2,2,4-trimethylpentyl)urea
CID 111933174
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide
CID 119308090
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-2-(2-methylphenyl)propyl]urea
CID 111630847
2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
CID 115175277
N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378
1-(1-hydroxybutan-2-yl)-3-(2-phenylsulfanylethyl)urea
CID 110892414
1-(1-hydroxybutan-2-yl)-3-(2-phenoxyethyl)urea
CID 75816995
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 119308089
N-butan-2-yl-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115715576

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea (CID 110922244) is 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea is CCC(CO)NC(=O)NCC(C)(C)c1ccccc1C.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea?
The InChIKey is NKONIPCNHGYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(10-19)18-15(20)17-11-16(3,4)14-9-7-6-8-12(14)2/h6-9,13,19H,5,10-11H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea?
1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea is sourced from PubChem (CID 110922244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).