1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea

C16H25ClN2O3 — CID 111435276

IUPAC1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NC(C)C(OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3/c1-4-5-14(20)10-18-16(21)19-11(2)15(22-3)12-6-8-13(17)9-7-12/h6-9,11,14-15,20H,4-5,10H2,1-3H3,(H2,18,19,21)
InChIKeyKPBRIUDUGJWDHH-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.88
Rot. Bonds8

About 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea

1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea (PubChem CID 111435276) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea
PubChem CID111435276
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NC(C)C(OC)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3/c1-4-5-14(20)10-18-16(21)19-11(2)15(22-3)12-6-8-13(17)9-7-12/h6-9,11,14-15,20H,4-5,10H2,1-3H3,(H2,18,19,21)
InChIKeyKPBRIUDUGJWDHH-UHFFFAOYSA-N
XLogP2.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]carbamoylamino]propanoic acid
CID 122002849
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
2-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668651
3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide
CID 120611024
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346
4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]butanoic acid
CID 122008717
3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119794046
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-ethyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 136534556
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide
CID 119794059

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea (CID 111435276) is 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)NC(C)C(OC)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea?
The InChIKey is KPBRIUDUGJWDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-4-5-14(20)10-18-16(21)19-11(2)15(22-3)12-6-8-13(17)9-7-12/h6-9,11,14-15,20H,4-5,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea?
1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea has a molecular weight of 328.84 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-3-(2-hydroxypentyl)urea is sourced from PubChem (CID 111435276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).