(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

C17H24N2O — CID 106609856

IUPAC(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCC(C)N(CC1CCCN1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H24N2O/c1-14(2)19(13-16-9-6-12-18-16)17(20)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16,18H,6,9,12-13H2,1-2H3/b11-10+
InChIKeyJXJHOADXPBTWFG-ZHACJKMWSA-N
MW272.39 g/mol
LogP2.69
Rot. Bonds5

About (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (PubChem CID 106609856) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
PubChem CID106609856
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCC(C)N(CC1CCCN1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H24N2O/c1-14(2)19(13-16-9-6-12-18-16)17(20)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16,18H,6,9,12-13H2,1-2H3/b11-10+
InChIKeyJXJHOADXPBTWFG-ZHACJKMWSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.69
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

(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106611607
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide
CID 106609880
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (CID 106609856) is (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is CC(C)N(CC1CCCN1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The InChIKey is JXJHOADXPBTWFG-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(2)19(13-16-9-6-12-18-16)17(20)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16,18H,6,9,12-13H2,1-2H3/b11-10+.
What are the key properties of (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106609856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).