N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide

C17H30N2O3 — CID 70315088

IUPACN-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)NC(C(=O)N1CCC[C@H]1COC)C1CCCCC1
InChIInChI=1S/C17H30N2O3/c1-3-15(20)18-16(13-8-5-4-6-9-13)17(21)19-11-7-10-14(19)12-22-2/h13-14,16H,3-12H2,1-2H3,(H,18,20)/t14-,16?/m0/s1
InChIKeyYLNCMLUXKAZLAB-LBAUFKAWSA-N
MW310.44 g/mol
LogP2.10
Rot. Bonds6

About N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide

N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide (PubChem CID 70315088) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
PubChem CID70315088
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)NC(C(=O)N1CCC[C@H]1COC)C1CCCCC1
InChIInChI=1S/C17H30N2O3/c1-3-15(20)18-16(13-8-5-4-6-9-13)17(21)19-11-7-10-14(19)12-22-2/h13-14,16H,3-12H2,1-2H3,(H,18,20)/t14-,16?/m0/s1
InChIKeyYLNCMLUXKAZLAB-LBAUFKAWSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
The IUPAC name of N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide (CID 70315088) is N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
The canonical SMILES for N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide is CCC(=O)NC(C(=O)N1CCC[C@H]1COC)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
The InChIKey is YLNCMLUXKAZLAB-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-15(20)18-16(13-8-5-4-6-9-13)17(21)19-11-7-10-14(19)12-22-2/h13-14,16H,3-12H2,1-2H3,(H,18,20)/t14-,16?/m0/s1.
What are the key properties of N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide has a molecular weight of 310.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 70315088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).