(2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide

C32H52N4O2 — CID 25198840

IUPAC(2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C
InChIInChI=1S/C32H52N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-31(37)29-21-18-23-36(29)32(38)30(35(2)3)24-26-25-34-28-20-16-15-19-27(26)28/h15-16,19-20,25,29-30,34H,4-14,17-18,21-24H2,1-3H3,(H,33,37)/t29-,30-/m0/s1
InChIKeyFHJPZCBYVDEBDR-KYJUHHDHSA-N
MW524.79 g/mol
LogP6.45
Rot. Bonds18

About (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide (PubChem CID 25198840) has the molecular formula C32H52N4O2 and a molecular weight of 524.79 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide
PubChem CID25198840
Molecular FormulaC32H52N4O2
Molecular Weight524.79 g/mol
Exact Mass524.41
IUPAC Name(2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C
InChIInChI=1S/C32H52N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-31(37)29-21-18-23-36(29)32(38)30(35(2)3)24-26-25-34-28-20-16-15-19-27(26)28/h15-16,19-20,25,29-30,34H,4-14,17-18,21-24H2,1-3H3,(H,33,37)/t29-,30-/m0/s1
InChIKeyFHJPZCBYVDEBDR-KYJUHHDHSA-N
XLogP6.45
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2S)-2-(hexadecylcarbamoyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-trimethylazanium
CID 102394130
N-[1-(hexadecylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 102169897
(2S)-1-[(2S)-2-[2-aminooctanoyl(methyl)amino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 102106324
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
2-[[1-[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18239612
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
2-[[2-[[1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 19947781
(2S)-1-[(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 101106728
2-[[2-[[1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 19947771
2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18297154
1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 70941046
(2S)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 102458353

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide (CID 25198840) is (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C.
What is the InChIKey of (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide?
The InChIKey is FHJPZCBYVDEBDR-KYJUHHDHSA-N. The full InChI is InChI=1S/C32H52N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-31(37)29-21-18-23-36(29)32(38)30(35(2)3)24-26-25-34-28-20-16-15-19-27(26)28/h15-16,19-20,25,29-30,34H,4-14,17-18,21-24H2,1-3H3,(H,33,37)/t29-,30-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide has a molecular weight of 524.79 g/mol, XLogP of 6.45, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-N-tetradecylpyrrolidine-2-carboxamide is sourced from PubChem (CID 25198840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).