N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide

C20H21N3O3 — CID 29130862

IUPACN-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C20H21N3O3/c1-23-17-6-4-3-5-15(17)13-18(23)20(25)22-12-11-21-19(24)14-7-9-16(26-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVYGCKNFLBGPKFB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide

N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide (PubChem CID 29130862) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
PubChem CID29130862
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C20H21N3O3/c1-23-17-6-4-3-5-15(17)13-18(23)20(25)22-12-11-21-19(24)14-7-9-16(26-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVYGCKNFLBGPKFB-UHFFFAOYSA-N
XLogP2.35
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 39314062
3-[(1-methylindole-2-carbonyl)amino]propyl benzoate
CID 167310083
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 42653320
N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide
CID 55876077
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 146123058
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide (CID 29130862) is N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide is COc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3n2C)cc1.
What is the InChIKey of N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide?
The InChIKey is VYGCKNFLBGPKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23-17-6-4-3-5-15(17)13-18(23)20(25)22-12-11-21-19(24)14-7-9-16(26-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide?
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 29130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).