(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide

C20H27N3O2 — CID 95141300

IUPAC(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)NCCc1c(C)[nH]c2ccccc12)C1CCCC1
InChIInChI=1S/C20H27N3O2/c1-13-16(17-9-5-6-10-18(17)22-13)11-12-21-20(25)19(23-14(2)24)15-7-3-4-8-15/h5-6,9-10,15,19,22H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,23,24)/t19-/m0/s1
InChIKeyPPQDRJLCODDPTG-IBGZPJMESA-N
MW341.46 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide

(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 95141300) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID95141300
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)NCCc1c(C)[nH]c2ccccc12)C1CCCC1
InChIInChI=1S/C20H27N3O2/c1-13-16(17-9-5-6-10-18(17)22-13)11-12-21-20(25)19(23-14(2)24)15-7-3-4-8-15/h5-6,9-10,15,19,22H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,23,24)/t19-/m0/s1
InChIKeyPPQDRJLCODDPTG-IBGZPJMESA-N
XLogP2.83
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 51271986
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
CID 119547727
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 118776913
1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 99833373
2-acetamido-2-cyclopentyl-N-(2-methylphenyl)acetamide
CID 47126825
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide (CID 95141300) is (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide is CC(=O)N[C@H](C(=O)NCCc1c(C)[nH]c2ccccc12)C1CCCC1.
What is the InChIKey of (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is PPQDRJLCODDPTG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-16(17-9-5-6-10-18(17)22-13)11-12-21-20(25)19(23-14(2)24)15-7-3-4-8-15/h5-6,9-10,15,19,22H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 95141300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).