N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide

C25H30N2O2 — CID 42471181

IUPACN-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N(Cc3cccc(OCC(C)C)c3)C3CC3)cccc2c1C
InChIInChI=1S/C25H30N2O2/c1-16(2)15-29-21-8-5-7-19(13-21)14-27(20-11-12-20)25(28)23-10-6-9-22-17(3)18(4)26-24(22)23/h5-10,13,16,20,26H,11-12,14-15H2,1-4H3
InChIKeyVLHRBCCQLUBWLX-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.62
Rot. Bonds7

About N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide

N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide (PubChem CID 42471181) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide
PubChem CID42471181
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N(Cc3cccc(OCC(C)C)c3)C3CC3)cccc2c1C
InChIInChI=1S/C25H30N2O2/c1-16(2)15-29-21-8-5-7-19(13-21)14-27(20-11-12-20)25(28)23-10-6-9-22-17(3)18(4)26-24(22)23/h5-10,13,16,20,26H,11-12,14-15H2,1-4H3
InChIKeyVLHRBCCQLUBWLX-UHFFFAOYSA-N
XLogP5.62
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-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-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
CID 42378699
N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 72931796
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111697659
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 119751157
[3-[[acetyl(cyclopropyl)amino]methyl]phenyl] methanesulfonate
CID 42669661
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112816253
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120625841
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide?
The IUPAC name of N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide (CID 42471181) is N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)N(Cc3cccc(OCC(C)C)c3)C3CC3)cccc2c1C.
What is the InChIKey of N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide?
The InChIKey is VLHRBCCQLUBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-16(2)15-29-21-8-5-7-19(13-21)14-27(20-11-12-20)25(28)23-10-6-9-22-17(3)18(4)26-24(22)23/h5-10,13,16,20,26H,11-12,14-15H2,1-4H3.
What are the key properties of N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide?
N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 42471181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).