methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate

C20H24N2O3 — CID 130177234

IUPACmethyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(C(=O)c1[nH]c2ccccc2c1C)C1CCCC1)C(=O)OC
InChIInChI=1S/C20H24N2O3/c1-13(20(24)25-3)12-22(15-8-4-5-9-15)19(23)18-14(2)16-10-6-7-11-17(16)21-18/h6-7,10-11,15,21H,1,4-5,8-9,12H2,2-3H3
InChIKeyRDZYFUDNYYUUQB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate

methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate (PubChem CID 130177234) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate
PubChem CID130177234
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(C(=O)c1[nH]c2ccccc2c1C)C1CCCC1)C(=O)OC
InChIInChI=1S/C20H24N2O3/c1-13(20(24)25-3)12-22(15-8-4-5-9-15)19(23)18-14(2)16-10-6-7-11-17(16)21-18/h6-7,10-11,15,21H,1,4-5,8-9,12H2,2-3H3
InChIKeyRDZYFUDNYYUUQB-UHFFFAOYSA-N
XLogP3.59
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-1H-indole-2-carboxylate
CID 930919
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 71879951
ethyl 3-[(cyclobutylamino)methyl]-1H-indole-2-carboxylate
CID 156746164
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146311
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
2-cyclobutyl-3-methyl-1H-indole
CID 91217757

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate (CID 130177234) is methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate is C=C(CN(C(=O)c1[nH]c2ccccc2c1C)C1CCCC1)C(=O)OC.
What is the InChIKey of methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate?
The InChIKey is RDZYFUDNYYUUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(20(24)25-3)12-22(15-8-4-5-9-15)19(23)18-14(2)16-10-6-7-11-17(16)21-18/h6-7,10-11,15,21H,1,4-5,8-9,12H2,2-3H3.
What are the key properties of methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate?
methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate has a molecular weight of 340.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 130177234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).