(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide

C20H27N3O2 — CID 95196011

IUPAC(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N3O2/c1-3-22(4-2)20(25)18-10-7-13-23(18)19(24)12-11-15-14-21-17-9-6-5-8-16(15)17/h5-6,8-9,14,18,21H,3-4,7,10-13H2,1-2H3/t18-/m1/s1
InChIKeyQRBJOAVVZLFQIY-GOSISDBHSA-N
MW341.45 g/mol
LogP2.96
Rot. Bonds6

About (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide

(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 95196011) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID95196011
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N3O2/c1-3-22(4-2)20(25)18-10-7-13-23(18)19(24)12-11-15-14-21-17-9-6-5-8-16(15)17/h5-6,8-9,14,18,21H,3-4,7,10-13H2,1-2H3/t18-/m1/s1
InChIKeyQRBJOAVVZLFQIY-GOSISDBHSA-N
XLogP2.96
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 175554389
3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 94783773
1-[(3aS,9aR)-1-acetyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110136219
3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50980068
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 3493358
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073224
1-(4-ethyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 126735085
N-cyclopropyl-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 86924365
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide
CID 51093208

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide (CID 95196011) is (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is QRBJOAVVZLFQIY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-22(4-2)20(25)18-10-7-13-23(18)19(24)12-11-15-14-21-17-9-6-5-8-16(15)17/h5-6,8-9,14,18,21H,3-4,7,10-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95196011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).