2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C21H31N3O3 — CID 170508420

IUPAC2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2CC[C@@H](CNC(C)=O)N2CC2CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-15(25)22-13-19-8-7-18(24(19)14-17-3-4-17)11-21(26)23-12-16-5-9-20(27-2)10-6-16/h5-6,9-10,17-19H,3-4,7-8,11-14H2,1-2H3,(H,22,25)(H,23,26)/t18-,19+/m1/s1
InChIKeyIVEZSARTVDQDLE-MOPGFXCFSA-N
MW373.50 g/mol
LogP2.08
Rot. Bonds9

About 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 170508420) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID170508420
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2CC[C@@H](CNC(C)=O)N2CC2CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-15(25)22-13-19-8-7-18(24(19)14-17-3-4-17)11-21(26)23-12-16-5-9-20(27-2)10-6-16/h5-6,9-10,17-19H,3-4,7-8,11-14H2,1-2H3,(H,22,25)(H,23,26)/t18-,19+/m1/s1
InChIKeyIVEZSARTVDQDLE-MOPGFXCFSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]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

2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 166618468
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(1H-indol-4-ylmethyl)acetamide
CID 166617682
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 166615991
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide
CID 171388793
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[[(2S,5R)-5-[2-(benzylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 171913952
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 171909572
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111869260
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 170508420) is 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C[C@H]2CC[C@@H](CNC(C)=O)N2CC2CC2)cc1.
What is the InChIKey of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is IVEZSARTVDQDLE-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(25)22-13-19-8-7-18(24(19)14-17-3-4-17)11-21(26)23-12-16-5-9-20(27-2)10-6-16/h5-6,9-10,17-19H,3-4,7-8,11-14H2,1-2H3,(H,22,25)(H,23,26)/t18-,19+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 170508420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).