(3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

C18H23N3O3 — CID 110203597

IUPAC(3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1COC
InChIInChI=1S/C18H23N3O3/c1-19-18(23)15-10-21(9-13(15)11-24-2)17(22)7-12-8-20-16-6-4-3-5-14(12)16/h3-6,8,13,15,20H,7,9-11H2,1-2H3,(H,19,23)/t13-,15+/m0/s1
InChIKeyASFFTMBHGIZYMR-DZGCQCFKSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds5

About (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

(3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 110203597) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID110203597
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1COC
InChIInChI=1S/C18H23N3O3/c1-19-18(23)15-10-21(9-13(15)11-24-2)17(22)7-12-8-20-16-6-4-3-5-14(12)16/h3-6,8,13,15,20H,7,9-11H2,1-2H3,(H,19,23)/t13-,15+/m0/s1
InChIKeyASFFTMBHGIZYMR-DZGCQCFKSA-N
XLogP1.18
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
(3R,4R)-4-[[2-(1H-indol-3-yl)acetyl]amino]-N,1-dimethylpyrrolidine-3-carboxamide
CID 155983577
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
1-[3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 156606885
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134698628
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 71809253
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
2-(1H-indol-3-yl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114390129
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (CID 110203597) is (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1COC.
What is the InChIKey of (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is ASFFTMBHGIZYMR-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-19-18(23)15-10-21(9-13(15)11-24-2)17(22)7-12-8-20-16-6-4-3-5-14(12)16/h3-6,8,13,15,20H,7,9-11H2,1-2H3,(H,19,23)/t13-,15+/m0/s1.
What are the key properties of (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[2-(1H-indol-3-yl)acetyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).