2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide

C19H29N3O — CID 91841784

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C19H29N3O/c1-4-22(13-8-11-17-9-6-5-7-10-17)19(23)16-21-14-12-18(15-21)20(2)3/h5-11,18H,4,12-16H2,1-3H3/b11-8+
InChIKeyZZWXLWDBGJWXQN-DHZHZOJOSA-N
MW315.46 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 91841784) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID91841784
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C19H29N3O/c1-4-22(13-8-11-17-9-6-5-7-10-17)19(23)16-21-14-12-18(15-21)20(2)3/h5-11,18H,4,12-16H2,1-3H3/b11-8+
InChIKeyZZWXLWDBGJWXQN-DHZHZOJOSA-N
XLogP2.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50963327
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
CID 50962275
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 97427429
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 42697019
3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50982925
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 91841784) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide is CCN(C/C=C/c1ccccc1)C(=O)CN1CCC(N(C)C)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is ZZWXLWDBGJWXQN-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-22(13-8-11-17-9-6-5-7-10-17)19(23)16-21-14-12-18(15-21)20(2)3/h5-11,18H,4,12-16H2,1-3H3/b11-8+.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 91841784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).