1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone

C16H25N3O — CID 133133321

IUPAC1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone
SMILESCCC[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1N
InChIInChI=1S/C16H25N3O/c1-3-7-13-10-19(11-15(13)17)16(20)12-18(2)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12,17H2,1-2H3/t13-,15-/m1/s1
InChIKeyJZEOQRPQTHVQLB-UKRRQHHQSA-N
MW275.40 g/mol
LogP1.71
Rot. Bonds5

About 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone

1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone (PubChem CID 133133321) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone
PubChem CID133133321
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone
SMILESCCC[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1N
InChIInChI=1S/C16H25N3O/c1-3-7-13-10-19(11-15(13)17)16(20)12-18(2)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12,17H2,1-2H3/t13-,15-/m1/s1
InChIKeyJZEOQRPQTHVQLB-UKRRQHHQSA-N
XLogP1.71
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72849634
1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
CID 154783657
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 133122728
(3S,4R)-4-(4-fluorophenyl)-1-[2-(N-methylanilino)acetyl]pyrrolidine-3-carboxylic acid
CID 70707609
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120742297
2-(N-methylanilino)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 46800871
1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 133132253
2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 74419182
1-[3-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 133121133

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone?
The IUPAC name of 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone (CID 133133321) is 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone is CCC[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1N.
What is the InChIKey of 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone?
The InChIKey is JZEOQRPQTHVQLB-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-7-13-10-19(11-15(13)17)16(20)12-18(2)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12,17H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone?
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone is sourced from PubChem (CID 133133321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).