N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide

C18H26N2O2 — CID 30853286

IUPACN-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCCCCOCCCNC(=O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C18H26N2O2/c1-4-5-11-22-12-7-10-19-18(21)16-9-6-8-15-13(2)14(3)20-17(15)16/h6,8-9,20H,4-5,7,10-12H2,1-3H3,(H,19,21)
InChIKeyVYGQMQNLHUYEMB-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.72
Rot. Bonds8

About N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide

N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 30853286) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID30853286
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCCCCOCCCNC(=O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C18H26N2O2/c1-4-5-11-22-12-7-10-19-18(21)16-9-6-8-15-13(2)14(3)20-17(15)16/h6,8-9,20H,4-5,7,10-12H2,1-3H3,(H,19,21)
InChIKeyVYGQMQNLHUYEMB-UHFFFAOYSA-N
XLogP3.72
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111697659
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
2,3-dimethyl-1H-indole-7-carboxylate
CID 6950947

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide (CID 30853286) is N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide is CCCCOCCCNC(=O)c1cccc2c(C)c(C)[nH]c12.
What is the InChIKey of N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is VYGQMQNLHUYEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-5-11-22-12-7-10-19-18(21)16-9-6-8-15-13(2)14(3)20-17(15)16/h6,8-9,20H,4-5,7,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 30853286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).