1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea

C16H26N2O3 — CID 111455135

IUPAC1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea
SMILESCCC(CCO)NC(=O)NCC(C)c1ccccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-13(9-10-19)18-16(20)17-11-12(2)14-7-5-6-8-15(14)21-3/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyFCKGHJQPKPNSMX-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.26
Rot. Bonds8

About 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea

1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea (PubChem CID 111455135) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea
PubChem CID111455135
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea
SMILESCCC(CCO)NC(=O)NCC(C)c1ccccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-13(9-10-19)18-16(20)17-11-12(2)14-7-5-6-8-15(14)21-3/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyFCKGHJQPKPNSMX-UHFFFAOYSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypentan-3-yl)-3-(2-methoxyphenyl)propanamide
CID 115767199
1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 111454167
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
1-butan-2-yl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 110945322
N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
CID 115735137
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(2-methoxyphenyl)propyl]urea
CID 111505764
(2R,3S)-2-[[(3S)-3-(2-methoxyphenyl)butanoyl]amino]-3-methylpentanoic acid
CID 98851400
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea (CID 111455135) is 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea is CCC(CCO)NC(=O)NCC(C)c1ccccc1OC.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea?
The InChIKey is FCKGHJQPKPNSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-13(9-10-19)18-16(20)17-11-12(2)14-7-5-6-8-15(14)21-3/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea?
1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea is sourced from PubChem (CID 111455135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).