1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C24H26N2O — CID 3856277

IUPAC1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O/c1-17(2)19-11-8-13-21(15-19)24(3,4)26-23(27)25-16-20-12-7-10-18-9-5-6-14-22(18)20/h5-15H,1,16H2,2-4H3,(H2,25,26,27)
InChIKeyPCGAREALVFBSFR-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.61
Rot. Bonds5

About 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 3856277) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID3856277
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O/c1-17(2)19-11-8-13-21(15-19)24(3,4)26-23(27)25-16-20-12-7-10-18-9-5-6-14-22(18)20/h5-15H,1,16H2,2-4H3,(H2,25,26,27)
InChIKeyPCGAREALVFBSFR-UHFFFAOYSA-N
XLogP5.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110324303
1-[2-(diethylamino)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2307820
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-2-ylurea
CID 67473072
1-[2-(4-benzoylphenoxy)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 58664642
1-(4-tert-butylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 71462576
1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
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CID 169012887
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110429166
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyrimidin-2-ylurea
CID 2312275
4-(aminomethyl)-N-[3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]propyl]benzamide
CID 82097371
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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 3856277) is 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCc2cccc3ccccc23)c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is PCGAREALVFBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-17(2)19-11-8-13-21(15-19)24(3,4)26-23(27)25-16-20-12-7-10-18-9-5-6-14-22(18)20/h5-15H,1,16H2,2-4H3,(H2,25,26,27).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 358.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 3856277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).