N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide

C16H23N3O — CID 103721268

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H23N3O/c1-12(2)19(3)11-5-9-18-16(20)14-6-4-7-15-13(14)8-10-17-15/h4,6-8,10,12,17H,5,9,11H2,1-3H3,(H,18,20)
InChIKeyGATNUZCFHGRSHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds6

About N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide

N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide (PubChem CID 103721268) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
PubChem CID103721268
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H23N3O/c1-12(2)19(3)11-5-9-18-16(20)14-6-4-7-15-13(14)8-10-17-15/h4,6-8,10,12,17H,5,9,11H2,1-3H3,(H,18,20)
InChIKeyGATNUZCFHGRSHL-UHFFFAOYSA-N
XLogP2.63
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
CID 43596537
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
CID 43583021
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814
3-[1H-indole-4-carbonyl(propan-2-yl)amino]propanoic acid
CID 60832436
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide (CID 103721268) is N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide is CC(C)N(C)CCCNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide?
The InChIKey is GATNUZCFHGRSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)19(3)11-5-9-18-16(20)14-6-4-7-15-13(14)8-10-17-15/h4,6-8,10,12,17H,5,9,11H2,1-3H3,(H,18,20).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide?
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 103721268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).