(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C16H22N2O3 — CID 94183042

IUPAC(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2ccc(OC(C)C)cc2)CC1=O
InChIInChI=1S/C16H22N2O3/c1-4-18-10-12(9-15(18)19)16(20)17-13-5-7-14(8-6-13)21-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyCTTKWHBEZKHJCE-GFCCVEGCSA-N
MW290.36 g/mol
LogP2.28
Rot. Bonds5

About (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 94183042) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID94183042
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2ccc(OC(C)C)cc2)CC1=O
InChIInChI=1S/C16H22N2O3/c1-4-18-10-12(9-15(18)19)16(20)17-13-5-7-14(8-6-13)21-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyCTTKWHBEZKHJCE-GFCCVEGCSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-pentyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113185733
1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 108800352
1-[(2-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183860
1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183329
1-ethyl-5-oxo-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 60604654
(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52578120
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188343
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 94183042) is (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)Nc2ccc(OC(C)C)cc2)CC1=O.
What is the InChIKey of (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CTTKWHBEZKHJCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-18-10-12(9-15(18)19)16(20)17-13-5-7-14(8-6-13)21-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94183042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).