N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide

C18H26N2O2 — CID 155556744

IUPACN-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide
SMILESC[C@@H](C(=O)N1CCCC1)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-15(18(22)20-13-6-7-14-20)19(2)17(21)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyGRMQBHLLBKYGTF-HNNXBMFYSA-N
MW302.42 g/mol
LogP2.48
Rot. Bonds6

About N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide

N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide (PubChem CID 155556744) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide
PubChem CID155556744
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide
SMILESC[C@@H](C(=O)N1CCCC1)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-15(18(22)20-13-6-7-14-20)19(2)17(21)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyGRMQBHLLBKYGTF-HNNXBMFYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide?
The IUPAC name of N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide (CID 155556744) is N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide is C[C@@H](C(=O)N1CCCC1)N(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide?
The InChIKey is GRMQBHLLBKYGTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15(18(22)20-13-6-7-14-20)19(2)17(21)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide?
N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide has a molecular weight of 302.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 155556744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).