1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea

C26H24N2O2 — CID 95367329

IUPAC1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
SMILESO=C(NC[C@@H](O)c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-24(23-17-9-15-19-10-7-8-16-22(19)23)18-27-26(30)28-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,24-25,29H,18H2,(H2,27,28,30)/t24-/m1/s1
InChIKeyAKSBBZPUSYEJPC-XMMPIXPASA-N
MW396.49 g/mol
LogP4.96
Rot. Bonds6

About 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea

1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea (PubChem CID 95367329) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
PubChem CID95367329
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
SMILESO=C(NC[C@@H](O)c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-24(23-17-9-15-19-10-7-8-16-22(19)23)18-27-26(30)28-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,24-25,29H,18H2,(H2,27,28,30)/t24-/m1/s1
InChIKeyAKSBBZPUSYEJPC-XMMPIXPASA-N
XLogP4.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
2-(benzylamino)-1-naphthalen-1-ylethanol
CID 126801118
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea?
The IUPAC name of 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea (CID 95367329) is 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea is O=C(NC[C@@H](O)c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea?
The InChIKey is AKSBBZPUSYEJPC-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N2O2/c29-24(23-17-9-15-19-10-7-8-16-22(19)23)18-27-26(30)28-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,24-25,29H,18H2,(H2,27,28,30)/t24-/m1/s1.
What are the key properties of 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea?
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea has a molecular weight of 396.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea is sourced from PubChem (CID 95367329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).