N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide

C16H22N2O2 — CID 17404195

IUPACN-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O2/c1-16(2,3)15(20)17-10-14(19)18-13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXPZCMQXLMZIROO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.28
Rot. Bonds3

About N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 17404195) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID17404195
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O2/c1-16(2,3)15(20)17-10-14(19)18-13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXPZCMQXLMZIROO-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111095009
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
CID 115156870
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 82109369
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43358320
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
CID 115157489
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 17404195) is N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is XPZCMQXLMZIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)15(20)17-10-14(19)18-13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17404195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).