N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide

C23H29N3O3 — CID 120745815

IUPACN-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H29N3O3/c1-16(27)25-22(12-17-7-6-10-20(11-17)29-2)23(28)26-14-19(13-24)21(15-26)18-8-4-3-5-9-18/h3-11,19,21-22H,12-15,24H2,1-2H3,(H,25,27)/t19-,21+,22?/m1/s1
InChIKeyXOWJJFUTOZCDDJ-DOYJUQJDSA-N
MW395.50 g/mol
LogP1.94
Rot. Bonds7

About N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide

N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide (PubChem CID 120745815) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide
PubChem CID120745815
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H29N3O3/c1-16(27)25-22(12-17-7-6-10-20(11-17)29-2)23(28)26-14-19(13-24)21(15-26)18-8-4-3-5-9-18/h3-11,19,21-22H,12-15,24H2,1-2H3,(H,25,27)/t19-,21+,22?/m1/s1
InChIKeyXOWJJFUTOZCDDJ-DOYJUQJDSA-N
XLogP1.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide 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

1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 94676556
N-[(2S)-1-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide
CID 98799013
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride
CID 120741892
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 120745319
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 120743157
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone;ethane
CID 90748357
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 120742751
1-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120742180
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one
CID 120743124
(3S,4R)-1-[(2R)-2-acetamidopropanoyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 166323984
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 120742355
N-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]acetamide
CID 120744908

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide (CID 120745815) is N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide is COc1cccc(CC(NC(C)=O)C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide?
The InChIKey is XOWJJFUTOZCDDJ-DOYJUQJDSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(27)25-22(12-17-7-6-10-20(11-17)29-2)23(28)26-14-19(13-24)21(15-26)18-8-4-3-5-9-18/h3-11,19,21-22H,12-15,24H2,1-2H3,(H,25,27)/t19-,21+,22?/m1/s1.
What are the key properties of N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide?
N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(3-methoxyphenyl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 120745815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).