(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide

C20H30N2O4 — CID 100737175

IUPAC(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H30N2O4/c1-4-14-26-20(3,5-2)19(24)21-16-8-10-17(11-9-16)25-15-18(23)22-12-6-7-13-22/h8-11H,4-7,12-15H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyILGOFSGVZQTQCT-FQEVSTJZSA-N
MW362.47 g/mol
LogP3.22
Rot. Bonds9

About (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide

(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide (PubChem CID 100737175) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
PubChem CID100737175
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H30N2O4/c1-4-14-26-20(3,5-2)19(24)21-16-8-10-17(11-9-16)25-15-18(23)22-12-6-7-13-22/h8-11H,4-7,12-15H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyILGOFSGVZQTQCT-FQEVSTJZSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
2-[4-[(2-methyl-2-propoxybutanoyl)amino]phenoxy]acetic acid
CID 133246947
2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid
CID 100737138
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
CID 100737524
(2R)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-propoxyhexanamide
CID 100741579
4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
CID 100740788
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide?
The IUPAC name of (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide (CID 100737175) is (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide.
What is the SMILES notation for (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide?
The canonical SMILES for (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide is CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide?
The InChIKey is ILGOFSGVZQTQCT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-14-26-20(3,5-2)19(24)21-16-8-10-17(11-9-16)25-15-18(23)22-12-6-7-13-22/h8-11H,4-7,12-15H2,1-3H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide?
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide has a molecular weight of 362.47 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide is sourced from PubChem (CID 100737175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).