(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide

C17H24N2O4 — CID 110203709

IUPAC(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1C(N)=O
InChIInChI=1S/C17H24N2O4/c1-22-11-13-9-19(10-15(13)17(18)21)16(20)7-6-12-4-3-5-14(8-12)23-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3,(H2,18,21)/t13-,15+/m0/s1
InChIKeyMDQLVRBUDQWOJW-DZGCQCFKSA-N
MW320.39 g/mol
LogP0.83
Rot. Bonds7

About (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide (PubChem CID 110203709) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide
PubChem CID110203709
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1C(N)=O
InChIInChI=1S/C17H24N2O4/c1-22-11-13-9-19(10-15(13)17(18)21)16(20)7-6-12-4-3-5-14(8-12)23-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3,(H2,18,21)/t13-,15+/m0/s1
InChIKeyMDQLVRBUDQWOJW-DZGCQCFKSA-N
XLogP0.83
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(3-methoxyphenyl)propan-1-one
CID 91910519
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
CID 156611450
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
(1S,5R)-3-[3-(3-methoxyphenyl)propanoyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 77094977
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide (CID 110203709) is (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide is COC[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide?
The InChIKey is MDQLVRBUDQWOJW-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-11-13-9-19(10-15(13)17(18)21)16(20)7-6-12-4-3-5-14(8-12)23-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3,(H2,18,21)/t13-,15+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).