(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide

C14H20N2O2 — CID 61148271

IUPAC(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCOCCCNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-2-18-9-5-8-15-14(17)13-10-11-6-3-4-7-12(11)16-13/h3-4,6-7,13,16H,2,5,8-10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyMCZCPKCFCFNKHA-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds6

About (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61148271) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61148271
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCOCCCNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-2-18-9-5-8-15-14(17)13-10-11-6-3-4-7-12(11)16-13/h3-4,6-7,13,16H,2,5,8-10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyMCZCPKCFCFNKHA-ZDUSSCGKSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.57
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

N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
CID 114264870
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 113494764
(3S)-N-(3-propoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896803
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61148271) is (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide is CCOCCCNC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is MCZCPKCFCFNKHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-9-5-8-15-14(17)13-10-11-6-3-4-7-12(11)16-13/h3-4,6-7,13,16H,2,5,8-10H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61148271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).