1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea

C25H30N2O3 — CID 52521276

IUPAC1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
SMILESCC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C25H30N2O3/c1-19(2)27(25(29)26-16-15-20-9-4-3-5-10-20)17-22(28)18-30-24-14-8-12-21-11-6-7-13-23(21)24/h3-14,19,22,28H,15-18H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyKEZJUIKJDKNSOW-JOCHJYFZSA-N
MW406.53 g/mol
LogP4.24
Rot. Bonds9

About 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea

1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea (PubChem CID 52521276) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
PubChem CID52521276
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
SMILESCC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C25H30N2O3/c1-19(2)27(25(29)26-16-15-20-9-4-3-5-10-20)17-22(28)18-30-24-14-8-12-21-11-6-7-13-23(21)24/h3-14,19,22,28H,15-18H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyKEZJUIKJDKNSOW-JOCHJYFZSA-N
XLogP4.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea with MolForge

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Related Compounds

3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 122018992
9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate
CID 18680042
N-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3,5-dinitro-N-propan-2-ylbenzamide
CID 165341790
4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide
CID 89013616
1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 86942993
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylamino]acetonitrile
CID 110929469
1-[2,2-diethoxyethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 21416658
(2S)-1-[2-methylsulfanylethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 54556253
1-benzyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112975497
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea?
The IUPAC name of 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea (CID 52521276) is 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea is CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea?
The InChIKey is KEZJUIKJDKNSOW-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-19(2)27(25(29)26-16-15-20-9-4-3-5-10-20)17-22(28)18-30-24-14-8-12-21-11-6-7-13-23(21)24/h3-14,19,22,28H,15-18H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea?
1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea has a molecular weight of 406.53 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea is sourced from PubChem (CID 52521276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).