N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide

C17H26N2O — CID 112520153

IUPACN-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCN(CC)CCCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)11-7-10-18-17(20)16-12-14-8-5-6-9-15(14)13-16/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3,(H,18,20)
InChIKeyVUIGZFFAOSIVPC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.25
Rot. Bonds7

About N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112520153) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112520153
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCN(CC)CCCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)11-7-10-18-17(20)16-12-14-8-5-6-9-15(14)13-16/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3,(H,18,20)
InChIKeyVUIGZFFAOSIVPC-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2,3-dihydro-1H-indene-2-carbonylamino)butanoate
CID 106703117
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 114151389
N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892938
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527808
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894046

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 112520153) is N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide is CCN(CC)CCCNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is VUIGZFFAOSIVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19(4-2)11-7-10-18-17(20)16-12-14-8-5-6-9-15(14)13-16/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112520153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).