N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide

C17H24N2O — CID 175014113

IUPACN,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)C=Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-18(4-2)17(20)12-9-15-7-10-16(11-8-15)19-13-5-6-14-19/h7-12H,3-6,13-14H2,1-2H3
InChIKeyHZHDPPRWNOQAER-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.17
Rot. Bonds5

About N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide

N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide (PubChem CID 175014113) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
PubChem CID175014113
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)C=Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-18(4-2)17(20)12-9-15-7-10-16(11-8-15)19-13-5-6-14-19/h7-12H,3-6,13-14H2,1-2H3
InChIKeyHZHDPPRWNOQAER-UHFFFAOYSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
(E)-3-[4-(azepan-1-yl)phenyl]-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9224931
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 38691544
1-(1-ethylpyrazol-4-yl)-3-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 76871051
(E)-1-pyridin-4-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 6108529
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203
(E)-1-(4-methylsulfanylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 155385825
(E)-3-(4-piperidin-1-ylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 60590797
2-[ethyl-[3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
CID 76865238

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide (CID 175014113) is N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide is CCN(CC)C(=O)C=Cc1ccc(N2CCCC2)cc1.
What is the InChIKey of N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The InChIKey is HZHDPPRWNOQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-18(4-2)17(20)12-9-15-7-10-16(11-8-15)19-13-5-6-14-19/h7-12H,3-6,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 175014113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).