1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea

C14H22N2O2 — CID 110901106

IUPAC1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCCC(CO)NC(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(9-17)16-14(18)15-11(3)12-7-5-10(2)6-8-12/h5-8,11,13,17H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyZPOOWDNFOVXZFA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.13
Rot. Bonds5

About 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea

1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea (PubChem CID 110901106) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea
PubChem CID110901106
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCCC(CO)NC(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(9-17)16-14(18)15-11(3)12-7-5-10(2)6-8-12/h5-8,11,13,17H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyZPOOWDNFOVXZFA-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111108490
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea
CID 111508574
2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 141298462
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758
1-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 125139850
1-[(1S)-1-(3,4-difluorophenyl)-2-methylpropyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856797
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111106616
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea (CID 110901106) is 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea is CCC(CO)NC(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is ZPOOWDNFOVXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(9-17)16-14(18)15-11(3)12-7-5-10(2)6-8-12/h5-8,11,13,17H,4,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea?
1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.13, 5 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-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 110901106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).