1-naphthalen-2-yl-3-(1-phenylethyl)urea

C19H18N2O — CID 78400043

IUPAC1-naphthalen-2-yl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(15-7-3-2-4-8-15)20-19(22)21-18-12-11-16-9-5-6-10-17(16)13-18/h2-14H,1H3,(H2,20,21,22)
InChIKeyJZLZAKYVXKGSDO-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.72
Rot. Bonds3

About 1-naphthalen-2-yl-3-(1-phenylethyl)urea

1-naphthalen-2-yl-3-(1-phenylethyl)urea (PubChem CID 78400043) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(1-phenylethyl)urea
PubChem CID78400043
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-naphthalen-2-yl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(15-7-3-2-4-8-15)20-19(22)21-18-12-11-16-9-5-6-10-17(16)13-18/h2-14H,1H3,(H2,20,21,22)
InChIKeyJZLZAKYVXKGSDO-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-methyl-3-naphthalen-2-ylurea
CID 3454681
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
CID 49285531
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887602

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(1-phenylethyl)urea?
The IUPAC name of 1-naphthalen-2-yl-3-(1-phenylethyl)urea (CID 78400043) is 1-naphthalen-2-yl-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-(1-phenylethyl)urea?
The canonical SMILES for 1-naphthalen-2-yl-3-(1-phenylethyl)urea is CC(NC(=O)Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-3-(1-phenylethyl)urea?
The InChIKey is JZLZAKYVXKGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(15-7-3-2-4-8-15)20-19(22)21-18-12-11-16-9-5-6-10-17(16)13-18/h2-14H,1H3,(H2,20,21,22).
What are the key properties of 1-naphthalen-2-yl-3-(1-phenylethyl)urea?
1-naphthalen-2-yl-3-(1-phenylethyl)urea has a molecular weight of 290.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(1-phenylethyl)urea is sourced from PubChem (CID 78400043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).