benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate

C19H18N2O4 — CID 38424752

IUPACbenzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
SMILESCOc1ccc2cc(C(=O)NCC(=O)OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H18N2O4/c1-24-15-8-7-14-9-17(21-16(14)10-15)19(23)20-11-18(22)25-12-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3,(H,20,23)
InChIKeyVCRYWSOHSKOBNQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.65
Rot. Bonds6

About benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate

benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate (PubChem CID 38424752) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
PubChem CID38424752
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namebenzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
SMILESCOc1ccc2cc(C(=O)NCC(=O)OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H18N2O4/c1-24-15-8-7-14-9-17(21-16(14)10-15)19(23)20-11-18(22)25-12-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3,(H,20,23)
InChIKeyVCRYWSOHSKOBNQ-UHFFFAOYSA-N
XLogP2.65
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
CID 90599204
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99873607
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 112522105
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-6-methoxy-1H-indole-2-carboxamide
CID 90580572
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate (CID 38424752) is benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate is COc1ccc2cc(C(=O)NCC(=O)OCc3ccccc3)[nH]c2c1.
What is the InChIKey of benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate?
The InChIKey is VCRYWSOHSKOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-15-8-7-14-9-17(21-16(14)10-15)19(23)20-11-18(22)25-12-13-5-3-2-4-6-13/h2-10,21H,11-12H2,1H3,(H,20,23).
What are the key properties of benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate?
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate has a molecular weight of 338.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate is sourced from PubChem (CID 38424752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).