(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide

C16H20N2O2 — CID 94193069

IUPAC(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)N(C)CC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12(13-6-4-3-5-7-13)10-16(20)18(2)11-15(19)17-14-8-9-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,19)/b12-10+
InChIKeyZJMHBLXFOXNZOX-ZRDIBKRKSA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds5

About (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide (PubChem CID 94193069) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide
PubChem CID94193069
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)N(C)CC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12(13-6-4-3-5-7-13)10-16(20)18(2)11-15(19)17-14-8-9-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,19)/b12-10+
InChIKeyZJMHBLXFOXNZOX-ZRDIBKRKSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]phenyl]prop-2-enoic acid
CID 76912209
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43579071
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-methyl-N-(3-phenylbut-2-enoyl)carbamoyl chloride
CID 173432083
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 78808882
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
CID 24510602

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide (CID 94193069) is (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide is C/C(=C\C(=O)N(C)CC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide?
The InChIKey is ZJMHBLXFOXNZOX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(13-6-4-3-5-7-13)10-16(20)18(2)11-15(19)17-14-8-9-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,19)/b12-10+.
What are the key properties of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide?
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide has a molecular weight of 272.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylbut-2-enamide is sourced from PubChem (CID 94193069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).