1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea

C16H20N2O3 — CID 95281049

IUPAC1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
SMILESCCNC(=O)NC[C@H](O)COc1cccc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-2-17-16(20)18-10-13(19)11-21-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,19H,2,10-11H2,1H3,(H2,17,18,20)/t13-/m0/s1
InChIKeyIOJKJZHGEHOWKX-ZDUSSCGKSA-N
MW288.35 g/mol
LogP1.90
Rot. Bonds6

About 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea

1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea (PubChem CID 95281049) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
PubChem CID95281049
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
SMILESCCNC(=O)NC[C@H](O)COc1cccc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-2-17-16(20)18-10-13(19)11-21-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,19H,2,10-11H2,1H3,(H2,17,18,20)/t13-/m0/s1
InChIKeyIOJKJZHGEHOWKX-ZDUSSCGKSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate
CID 174959812
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
CID 23884461

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea?
The IUPAC name of 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea (CID 95281049) is 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea?
The canonical SMILES for 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea is CCNC(=O)NC[C@H](O)COc1cccc2ccccc12.
What is the InChIKey of 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea?
The InChIKey is IOJKJZHGEHOWKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-17-16(20)18-10-13(19)11-21-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,19H,2,10-11H2,1H3,(H2,17,18,20)/t13-/m0/s1.
What are the key properties of 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea?
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea has a molecular weight of 288.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea is sourced from PubChem (CID 95281049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).