methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate

C16H22N2O5 — CID 8856176

IUPACmethyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H22N2O5/c1-21-11-6-7-12(14(9-11)22-2)13-5-4-8-18(13)10-15(19)17-16(20)23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,17,19,20)/t13-/m1/s1
InChIKeyKEFCFUPYCXPZPY-CYBMUJFWSA-N
MW322.36 g/mol
LogP1.72
Rot. Bonds5

About methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate

methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate (PubChem CID 8856176) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
PubChem CID8856176
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H22N2O5/c1-21-11-6-7-12(14(9-11)22-2)13-5-4-8-18(13)10-15(19)17-16(20)23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,17,19,20)/t13-/m1/s1
InChIKeyKEFCFUPYCXPZPY-CYBMUJFWSA-N
XLogP1.72
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857011
2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857019
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 8835105
N'-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 8854676
methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 8835199
methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate
CID 11934387
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835101
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26648605
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26546536
N-(3-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835103

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate?
The IUPAC name of methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate (CID 8856176) is methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate is COC(=O)NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC.
What is the InChIKey of methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate?
The InChIKey is KEFCFUPYCXPZPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-11-6-7-12(14(9-11)22-2)13-5-4-8-18(13)10-15(19)17-16(20)23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,17,19,20)/t13-/m1/s1.
What are the key properties of methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate?
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate has a molecular weight of 322.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate is sourced from PubChem (CID 8856176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).