N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C26H32N2O2 — CID 86971881

IUPACN-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(CCCCN(C)C(=O)c1ccc2c(c1)CCC2)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H32N2O2/c1-27(25(29)23-13-11-19-7-5-9-21(19)17-23)15-3-4-16-28(2)26(30)24-14-12-20-8-6-10-22(20)18-24/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyKMVOMXXHFLUREN-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.29
Rot. Bonds7

About N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 86971881) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID86971881
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(CCCCN(C)C(=O)c1ccc2c(c1)CCC2)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H32N2O2/c1-27(25(29)23-13-11-19-7-5-9-21(19)17-23)15-3-4-16-28(2)26(30)24-14-12-20-8-6-10-22(20)18-24/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyKMVOMXXHFLUREN-UHFFFAOYSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 115272627
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 80672016
N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742
N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
CID 107199269
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 86971881) is N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CN(CCCCN(C)C(=O)c1ccc2c(c1)CCC2)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is KMVOMXXHFLUREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-27(25(29)23-13-11-19-7-5-9-21(19)17-23)15-3-4-16-28(2)26(30)24-14-12-20-8-6-10-22(20)18-24/h11-14,17-18H,3-10,15-16H2,1-2H3.
What are the key properties of N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 86971881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).