tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate

C24H30N2O5 — CID 55388968

IUPACtert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C24H30N2O5/c1-24(2,3)31-23(28)25-17-9-6-8-16(14-17)22(27)26-13-7-10-20(26)19-15-18(29-4)11-12-21(19)30-5/h6,8-9,11-12,14-15,20H,7,10,13H2,1-5H3,(H,25,28)
InChIKeyRPQGDMQQYTVYRL-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.03
Rot. Bonds5

About tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate

tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate (PubChem CID 55388968) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
PubChem CID55388968
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Nametert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C24H30N2O5/c1-24(2,3)31-23(28)25-17-9-6-8-16(14-17)22(27)26-13-7-10-20(26)19-15-18(29-4)11-12-21(19)30-5/h6,8-9,11-12,14-15,20H,7,10,13H2,1-5H3,(H,25,28)
InChIKeyRPQGDMQQYTVYRL-UHFFFAOYSA-N
XLogP5.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 25374945
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 55555216
tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
CID 24537551
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41328131
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 41328133
N-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 51152058

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate (CID 55388968) is tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate is COc1ccc(OC)c(C2CCCN2C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
The InChIKey is RPQGDMQQYTVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-24(2,3)31-23(28)25-17-9-6-8-16(14-17)22(27)26-13-7-10-20(26)19-15-18(29-4)11-12-21(19)30-5/h6,8-9,11-12,14-15,20H,7,10,13H2,1-5H3,(H,25,28).
What are the key properties of tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate has a molecular weight of 426.51 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate is sourced from PubChem (CID 55388968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).