2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide

C15H22ClN3O2 — CID 120993689

IUPAC2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CCN(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-19-8-7-13(18-15(20)12(17)9-21-2)14(19)10-3-5-11(16)6-4-10/h3-6,12-14H,7-9,17H2,1-2H3,(H,18,20)
InChIKeySRQUOFOKWJVAFT-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide

2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 120993689) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID120993689
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CCN(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-19-8-7-13(18-15(20)12(17)9-21-2)14(19)10-3-5-11(16)6-4-10/h3-6,12-14H,7-9,17H2,1-2H3,(H,18,20)
InChIKeySRQUOFOKWJVAFT-UHFFFAOYSA-N
XLogP1.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-2-Amino-N-benzyl-3-methoxypropionamide
CID 10104501
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)butyramide
CID 11558708
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623823
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)propionamide
CID 11659436
(2S)-N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864950
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3,6-dihydro-2H-pyridin-1-yl)-butan-1-one
CID 11289792
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)pivalamide
CID 44578041
(S)-N-(2-chlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 44578077
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide
CID 20851421
Propanamide, 2-amino-3-methoxy-N-(phenylmethyl)-, (2S)-
CID 56666810

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide (CID 120993689) is 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide is COCC(N)C(=O)NC1CCN(C)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is SRQUOFOKWJVAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-19-8-7-13(18-15(20)12(17)9-21-2)14(19)10-3-5-11(16)6-4-10/h3-6,12-14H,7-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 311.81 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 120993689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).