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

C17H27N3O — CID 76929615

IUPACN-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H27N3O/c1-13(2)20(3)11-7-6-10-18-17(21)16-12-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,16,19H,6-7,10-12H2,1-3H3,(H,18,21)
InChIKeyIPVHCSVJEBNTAV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.26
Rot. Bonds7

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

N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76929615) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76929615
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H27N3O/c1-13(2)20(3)11-7-6-10-18-17(21)16-12-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,16,19H,6-7,10-12H2,1-3H3,(H,18,21)
InChIKeyIPVHCSVJEBNTAV-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 62641372
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356184
N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
CID 114264870

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76929615) is N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide is CC(C)N(C)CCCCNC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is IPVHCSVJEBNTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)20(3)11-7-6-10-18-17(21)16-12-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,16,19H,6-7,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76929615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).