(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide

C19H26N2O4 — CID 100708900

IUPAC(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
SMILESCO[C@](C)(C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1)C1CC1
InChIInChI=1S/C19H26N2O4/c1-19(24-2,14-5-6-14)18(23)20-15-7-9-16(10-8-15)25-13-17(22)21-11-3-4-12-21/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyPJVFKWWBSYICTA-IBGZPJMESA-N
MW346.43 g/mol
LogP2.44
Rot. Bonds7

About (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide

(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide (PubChem CID 100708900) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
PubChem CID100708900
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
SMILESCO[C@](C)(C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1)C1CC1
InChIInChI=1S/C19H26N2O4/c1-19(24-2,14-5-6-14)18(23)20-15-7-9-16(10-8-15)25-13-17(22)21-11-3-4-12-21/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyPJVFKWWBSYICTA-IBGZPJMESA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.44
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-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
CID 100709144
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
CID 133246235
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
CID 61026928
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100735000

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide (CID 100708900) is (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide is CO[C@](C)(C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
The InChIKey is PJVFKWWBSYICTA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(24-2,14-5-6-14)18(23)20-15-7-9-16(10-8-15)25-13-17(22)21-11-3-4-12-21/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)/t19-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 100708900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).