N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide

C19H28N2O3 — CID 15660996

IUPACN-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide
SMILESCCC(O)[C@@H]1CCCN1C(=O)CCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-3-17(22)16-10-7-13-21(16)19(24)12-11-18(23)20(2)14-15-8-5-4-6-9-15/h4-6,8-9,16-17,22H,3,7,10-14H2,1-2H3/t16-,17?/m0/s1
InChIKeyWQKLKTHXSMKALO-BHWOMJMDSA-N
MW332.44 g/mol
LogP2.19
Rot. Bonds7

About N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide

N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide (PubChem CID 15660996) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide
PubChem CID15660996
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide
SMILESCCC(O)[C@@H]1CCCN1C(=O)CCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-3-17(22)16-10-7-13-21(16)19(24)12-11-18(23)20(2)14-15-8-5-4-6-9-15/h4-6,8-9,16-17,22H,3,7,10-14H2,1-2H3/t16-,17?/m0/s1
InChIKeyWQKLKTHXSMKALO-BHWOMJMDSA-N
XLogP2.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide (CID 15660996) is N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide is CCC(O)[C@@H]1CCCN1C(=O)CCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
The InChIKey is WQKLKTHXSMKALO-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-17(22)16-10-7-13-21(16)19(24)12-11-18(23)20(2)14-15-8-5-4-6-9-15/h4-6,8-9,16-17,22H,3,7,10-14H2,1-2H3/t16-,17?/m0/s1.
What are the key properties of N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide has a molecular weight of 332.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2S)-2-(1-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 15660996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).