N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide

C19H19N3O3 — CID 134003045

IUPACN-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCNC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H19N3O3/c1-25-15-8-7-14-11-17(22-16(14)12-15)19(24)21-10-9-20-18(23)13-5-3-2-4-6-13/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeySYEBMURXMUCJKE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.34
Rot. Bonds6

About N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide

N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 134003045) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID134003045
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCNC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H19N3O3/c1-25-15-8-7-14-11-17(22-16(14)12-15)19(24)21-10-9-20-18(23)13-5-3-2-4-6-13/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeySYEBMURXMUCJKE-UHFFFAOYSA-N
XLogP2.34
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
6-methoxy-N-(2-phenylphenyl)-1H-indole-2-carboxamide
CID 138604809
6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 60515636
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
CID 90599204
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99873607
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide (CID 134003045) is N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCCNC(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is SYEBMURXMUCJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-15-8-7-14-11-17(22-16(14)12-15)19(24)21-10-9-20-18(23)13-5-3-2-4-6-13/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide?
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 134003045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).