1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

C15H24N2O3 — CID 110895700

IUPAC1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(CO)NC(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-10(2)20-14-7-5-13(6-8-14)12(4)17-15(19)16-11(3)9-18/h5-8,10-12,18H,9H2,1-4H3,(H2,16,17,19)
InChIKeyQRDONFUPQFKEHM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds6

About 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 110895700) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
PubChem CID110895700
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(CO)NC(=O)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-10(2)20-14-7-5-13(6-8-14)12(4)17-15(19)16-11(3)9-18/h5-8,10-12,18H,9H2,1-4H3,(H2,16,17,19)
InChIKeyQRDONFUPQFKEHM-UHFFFAOYSA-N
XLogP2.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxybutyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111337153
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 61264808
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110933256
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (CID 110895700) is 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea is CC(CO)NC(=O)NC(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is QRDONFUPQFKEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)20-14-7-5-13(6-8-14)12(4)17-15(19)16-11(3)9-18/h5-8,10-12,18H,9H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 110895700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).