N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide

C19H24N2O3 — CID 86911345

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H24N2O3/c1-21(12-18(23)20-16-7-8-16)19(24)10-9-17(22)15-6-5-13-3-2-4-14(13)11-15/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,20,23)
InChIKeyNIODTRFSCABFTQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide (PubChem CID 86911345) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
PubChem CID86911345
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H24N2O3/c1-21(12-18(23)20-16-7-8-16)19(24)10-9-17(22)15-6-5-13-3-2-4-14(13)11-15/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,20,23)
InChIKeyNIODTRFSCABFTQ-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119455927
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 8602029
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680971
N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
CID 31278501
N-[(5-bromo-2-fluorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
CID 55580795
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61037277
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide (CID 86911345) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide is CN(CC(=O)NC1CC1)C(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
The InChIKey is NIODTRFSCABFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21(12-18(23)20-16-7-8-16)19(24)10-9-17(22)15-6-5-13-3-2-4-14(13)11-15/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide has a molecular weight of 328.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 86911345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).