N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C14H21N3O — CID 76947537

IUPACN-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(C)CCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H21N3O/c1-3-17(2)9-8-15-14(18)13-10-11-6-4-5-7-12(11)16-13/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyQKPBXSWLVFIEJS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.09
Rot. Bonds5

About N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76947537) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76947537
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(C)CCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H21N3O/c1-3-17(2)9-8-15-14(18)13-10-11-6-4-5-7-12(11)16-13/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyQKPBXSWLVFIEJS-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356183
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 113494764
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 62641372

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76947537) is N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide is CCN(C)CCNC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is QKPBXSWLVFIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17(2)9-8-15-14(18)13-10-11-6-4-5-7-12(11)16-13/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76947537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).