(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide

C21H29N3O2 — CID 7012221

IUPAC(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
SMILESCC[C@](C)(C(=O)NC1CCCC1)N(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H29N3O2/c1-4-21(2,20(26)23-16-9-5-6-10-16)24(3)19(25)13-15-14-22-18-12-8-7-11-17(15)18/h7-8,11-12,14,16,22H,4-6,9-10,13H2,1-3H3,(H,23,26)/t21-/m1/s1
InChIKeyJLPGMTPDLGQEHR-OAQYLSRUSA-N
MW355.48 g/mol
LogP3.40
Rot. Bonds6

About (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide

(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide (PubChem CID 7012221) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
PubChem CID7012221
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
SMILESCC[C@](C)(C(=O)NC1CCCC1)N(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H29N3O2/c1-4-21(2,20(26)23-16-9-5-6-10-16)24(3)19(25)13-15-14-22-18-12-8-7-11-17(15)18/h7-8,11-12,14,16,22H,4-6,9-10,13H2,1-3H3,(H,23,26)/t21-/m1/s1
InChIKeyJLPGMTPDLGQEHR-OAQYLSRUSA-N
XLogP3.40
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide
CID 4992266
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 6940630
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 110819918
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
CID 134107242
N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 43811744
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide (CID 7012221) is (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide is CC[C@](C)(C(=O)NC1CCCC1)N(C)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide?
The InChIKey is JLPGMTPDLGQEHR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-21(2,20(26)23-16-9-5-6-10-16)24(3)19(25)13-15-14-22-18-12-8-7-11-17(15)18/h7-8,11-12,14,16,22H,4-6,9-10,13H2,1-3H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide?
(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide has a molecular weight of 355.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide is sourced from PubChem (CID 7012221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).