(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide

C19H28N2O — CID 82177259

IUPAC(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccc(C(C)C)cc1)C1CCNC1
InChIInChI=1S/C19H28N2O/c1-4-13-21(18-11-12-20-14-18)19(22)10-7-16-5-8-17(9-6-16)15(2)3/h5-10,15,18,20H,4,11-14H2,1-3H3/b10-7+
InChIKeyMZHRNYJKBFBQFF-JXMROGBWSA-N
MW300.45 g/mol
LogP3.42
Rot. Bonds6

About (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide

(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide (PubChem CID 82177259) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide
PubChem CID82177259
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccc(C(C)C)cc1)C1CCNC1
InChIInChI=1S/C19H28N2O/c1-4-13-21(18-11-12-20-14-18)19(22)10-7-16-5-8-17(9-6-16)15(2)3/h5-10,15,18,20H,4,11-14H2,1-3H3/b10-7+
InChIKeyMZHRNYJKBFBQFF-JXMROGBWSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.42
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

3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
CID 77002821
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
(E)-3-(furan-2-yl)-N-piperidin-4-yl-N-propylprop-2-enamide
CID 60806754
N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
CID 79116877
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
CID 54923443
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 167918992
N-propyl-2-pyridin-3-yl-N-pyrrolidin-3-ylpropanamide
CID 119530488
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide (CID 82177259) is (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide is CCCN(C(=O)/C=C/c1ccc(C(C)C)cc1)C1CCNC1.
What is the InChIKey of (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide?
The InChIKey is MZHRNYJKBFBQFF-JXMROGBWSA-N. The full InChI is InChI=1S/C19H28N2O/c1-4-13-21(18-11-12-20-14-18)19(22)10-7-16-5-8-17(9-6-16)15(2)3/h5-10,15,18,20H,4,11-14H2,1-3H3/b10-7+.
What are the key properties of (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide?
(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide has a molecular weight of 300.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide is sourced from PubChem (CID 82177259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).