4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide

C16H21N3O3 — CID 82069703

IUPAC4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N)c(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H21N3O3/c1-2-7-18-16(21)12-5-6-13(17)14(10-12)22-11-15(20)19-8-3-4-9-19/h2,5-6,10H,1,3-4,7-9,11,17H2,(H,18,21)
InChIKeyFALAAEBFHROBIW-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.19
Rot. Bonds6

About 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide

4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide (PubChem CID 82069703) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide
PubChem CID82069703
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N)c(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H21N3O3/c1-2-7-18-16(21)12-5-6-13(17)14(10-12)22-11-15(20)19-8-3-4-9-19/h2,5-6,10H,1,3-4,7-9,11,17H2,(H,18,21)
InChIKeyFALAAEBFHROBIW-UHFFFAOYSA-N
XLogP1.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
CID 82069705
4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide
CID 93216570
methyl 3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 43380297
4-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 82070037
1-[3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
CID 82064250
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192019
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
4-amino-N-benzyl-3-prop-2-enoxybenzamide
CID 82069770
4-iodo-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoic acid
CID 114103502
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
2-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide?
The IUPAC name of 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide (CID 82069703) is 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N)c(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide?
The InChIKey is FALAAEBFHROBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-7-18-16(21)12-5-6-13(17)14(10-12)22-11-15(20)19-8-3-4-9-19/h2,5-6,10H,1,3-4,7-9,11,17H2,(H,18,21).
What are the key properties of 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide?
4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide has a molecular weight of 303.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide is sourced from PubChem (CID 82069703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).