1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea

C16H26N2O2 — CID 63836496

IUPAC1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCCC(CC)C(C)NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)11(3)17-16(20)18-15-9-7-8-14(10-15)12(4)19/h7-13,19H,5-6H2,1-4H3,(H2,17,18,20)
InChIKeyIHMOBFXSUXACAW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.69
Rot. Bonds6

About 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 63836496) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID63836496
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCCC(CC)C(C)NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)11(3)17-16(20)18-15-9-7-8-14(10-15)12(4)19/h7-13,19H,5-6H2,1-4H3,(H2,17,18,20)
InChIKeyIHMOBFXSUXACAW-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
1-[3-(1-hydroxyethyl)phenyl]-3-octan-2-ylurea
CID 61478879
N-ethyl-2-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-N-methylpropanamide
CID 103113367
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
1-(4-aminophenyl)-3-(3-ethylpentan-2-yl)urea
CID 63836426
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
ethyl (2R,3S)-3-[[3-(difluoromethyl)phenyl]carbamoylamino]-2-methylbutanoate
CID 129402429

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 63836496) is 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea is CCC(CC)C(C)NC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is IHMOBFXSUXACAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(6-2)11(3)17-16(20)18-15-9-7-8-14(10-15)12(4)19/h7-13,19H,5-6H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 278.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 63836496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).