1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea

C20H20N2O2 — CID 40647880

IUPAC1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
SMILESC[C@H](NC(=O)Nc1cccc2ccccc12)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-14(19(23)16-9-3-2-4-10-16)21-20(24)22-18-13-7-11-15-8-5-6-12-17(15)18/h2-14,19,23H,1H3,(H2,21,22,24)/t14-,19+/m0/s1
InChIKeySIYQECJNYRMVSG-IFXJQAMLSA-N
MW320.39 g/mol
LogP4.08
Rot. Bonds4

About 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea

1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea (PubChem CID 40647880) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
PubChem CID40647880
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
SMILESC[C@H](NC(=O)Nc1cccc2ccccc12)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-14(19(23)16-9-3-2-4-10-16)21-20(24)22-18-13-7-11-15-8-5-6-12-17(15)18/h2-14,19,23H,1H3,(H2,21,22,24)/t14-,19+/m0/s1
InChIKeySIYQECJNYRMVSG-IFXJQAMLSA-N
XLogP4.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 42959034
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea (CID 40647880) is 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea is C[C@H](NC(=O)Nc1cccc2ccccc12)[C@@H](O)c1ccccc1.
What is the InChIKey of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea?
The InChIKey is SIYQECJNYRMVSG-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(19(23)16-9-3-2-4-10-16)21-20(24)22-18-13-7-11-15-8-5-6-12-17(15)18/h2-14,19,23H,1H3,(H2,21,22,24)/t14-,19+/m0/s1.
What are the key properties of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea?
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea has a molecular weight of 320.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 40647880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).