2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

C18H26ClN3O4 — CID 119815372

IUPAC2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)CNCC3CC3)C2=O)c1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-24-14-7-13(8-15(9-14)25-2)21-6-5-16(18(21)23)20-17(22)11-19-10-12-3-4-12;/h7-9,12,16,19H,3-6,10-11H2,1-2H3,(H,20,22);1H
InChIKeyRYKLJVYRUNJTIR-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.35
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 119815372) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID119815372
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)CNCC3CC3)C2=O)c1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-24-14-7-13(8-15(9-14)25-2)21-6-5-16(18(21)23)20-17(22)11-19-10-12-3-4-12;/h7-9,12,16,19H,3-6,10-11H2,1-2H3,(H,20,22);1H
InChIKeyRYKLJVYRUNJTIR-UHFFFAOYSA-N
XLogP1.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119815353
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
CID 119341784
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119814077
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119341782
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119341793
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637992
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 166417864
3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide
CID 136524635

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (CID 119815372) is 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is COc1cc(OC)cc(N2CCC(NC(=O)CNCC3CC3)C2=O)c1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is RYKLJVYRUNJTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4.ClH/c1-24-14-7-13(8-15(9-14)25-2)21-6-5-16(18(21)23)20-17(22)11-19-10-12-3-4-12;/h7-9,12,16,19H,3-6,10-11H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119815372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).