2-phenylethenyl(propyl)carbamic acid

C12H15NO2 — CID 174766085

IUPAC2-phenylethenyl(propyl)carbamic acid
SMILESCCCN(C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO2/c1-2-9-13(12(14)15)10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,14,15)
InChIKeyHIULWPKLRNGOME-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.05
Rot. Bonds4

About 2-phenylethenyl(propyl)carbamic acid

2-phenylethenyl(propyl)carbamic acid (PubChem CID 174766085) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-phenylethenyl(propyl)carbamic acid.

Molecular Properties

Compound Name2-phenylethenyl(propyl)carbamic acid
PubChem CID174766085
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-phenylethenyl(propyl)carbamic acid
SMILESCCCN(C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO2/c1-2-9-13(12(14)15)10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,14,15)
InChIKeyHIULWPKLRNGOME-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptadecyl-N-(2-phenylethenyl)heptadecan-1-amine
CID 139723888
N-nonyl-N-(2-phenylethenyl)nonan-1-amine
CID 139723314
N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide
CID 69061112
acetic acid;stilbene
CID 172803728
2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide
CID 174583439
ethanol;3-phenylprop-2-enoic acid
CID 158830805
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015
(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
CID 18737343
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
CID 79116877
butanoic acid;3-phenylprop-2-en-1-ol
CID 175086989

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl(propyl)carbamic acid?
The IUPAC name of 2-phenylethenyl(propyl)carbamic acid (CID 174766085) is 2-phenylethenyl(propyl)carbamic acid.
What is the SMILES notation for 2-phenylethenyl(propyl)carbamic acid?
The canonical SMILES for 2-phenylethenyl(propyl)carbamic acid is CCCN(C=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-phenylethenyl(propyl)carbamic acid?
The InChIKey is HIULWPKLRNGOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-9-13(12(14)15)10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,14,15).
What are the key properties of 2-phenylethenyl(propyl)carbamic acid?
2-phenylethenyl(propyl)carbamic acid has a molecular weight of 205.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl(propyl)carbamic acid is sourced from PubChem (CID 174766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).