(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide

C17H24N2O4 — CID 128984129

IUPAC(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-3-23-13-7-4-12(5-8-13)6-9-16(20)19-11-14(22-2)10-15(19)17(18)21/h4-5,7-8,14-15H,3,6,9-11H2,1-2H3,(H2,18,21)/t14-,15-/m0/s1
InChIKeyKFWZQIBWXNJXIE-GJZGRUSLSA-N
MW320.39 g/mol
LogP1.12
Rot. Bonds7

About (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128984129) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID128984129
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-3-23-13-7-4-12(5-8-13)6-9-16(20)19-11-14(22-2)10-15(19)17(18)21/h4-5,7-8,14-15H,3,6,9-11H2,1-2H3,(H2,18,21)/t14-,15-/m0/s1
InChIKeyKFWZQIBWXNJXIE-GJZGRUSLSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365
(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
CID 95584899
(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128980014
(2S,4S)-4-methoxy-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979752
3-(4-ethoxyphenyl)-1-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
CID 124796563
3-(4-ethoxyphenyl)-1-(4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 133139705
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317
4-methoxy-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 62364996
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methoxyphenyl)propan-1-one
CID 122255237
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 128984922

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide (CID 128984129) is (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide is CCOc1ccc(CCC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is KFWZQIBWXNJXIE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-23-13-7-4-12(5-8-13)6-9-16(20)19-11-14(22-2)10-15(19)17(18)21/h4-5,7-8,14-15H,3,6,9-11H2,1-2H3,(H2,18,21)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128984129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).