3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide

C20H23N3O2 — CID 89031587

IUPAC3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C20H23N3O2/c1-13(2)14-7-5-9-16(11-14)20(3,4)23-19(25)22-17-10-6-8-15(12-17)18(21)24/h5-12H,1H2,2-4H3,(H2,21,24)(H2,22,23,25)
InChIKeyMWPAFYOMIUUSHN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.88
Rot. Bonds5

About 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide

3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide (PubChem CID 89031587) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide.

Molecular Properties

Compound Name3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
PubChem CID89031587
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C20H23N3O2/c1-13(2)14-7-5-9-16(11-14)20(3,4)23-19(25)22-17-10-6-8-15(12-17)18(21)24/h5-12H,1H2,2-4H3,(H2,21,24)(H2,22,23,25)
InChIKeyMWPAFYOMIUUSHN-UHFFFAOYSA-N
XLogP3.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
CID 788063
1-(4-tert-butylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 71462576
1-(3,4-dimethylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 118001195
1-(9,10-dioxoanthracen-2-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 59816790
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-[[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzoyl]amino]urea
CID 4246352
1-(2H-benzotriazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea;ethane
CID 144576138
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyrimidin-2-ylurea
CID 2312275
1-[4-(difluoromethylsulfanyl)phenyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2308142
2-chloro-N,N-di(propan-2-yl)-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
CID 73296950
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-(1H-pyrazol-5-yl)urea
CID 112519931
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
1-[2-(3-acetylphenyl)propan-2-yl]-3-(3-amino-4-chlorophenyl)urea
CID 90063329

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
The IUPAC name of 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide (CID 89031587) is 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide.
What is the SMILES notation for 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
The canonical SMILES for 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
The InChIKey is MWPAFYOMIUUSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)14-7-5-9-16(11-14)20(3,4)23-19(25)22-17-10-6-8-15(12-17)18(21)24/h5-12H,1H2,2-4H3,(H2,21,24)(H2,22,23,25).
What are the key properties of 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide is sourced from PubChem (CID 89031587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).