2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide

C16H24N2O2 — CID 10967781

IUPAC2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
SMILESCN(C(=O)CCCNC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(20)17-12-8-11-14(19)18(4)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3,(H,17,20)
InChIKeyCNEXIGKCBSCIGE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds5

About 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide

2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide (PubChem CID 10967781) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
PubChem CID10967781
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
SMILESCN(C(=O)CCCNC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(20)17-12-8-11-14(19)18(4)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3,(H,17,20)
InChIKeyCNEXIGKCBSCIGE-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
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

N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
CID 51075625
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
2,2-dimethyl-N-[3-[methyl(naphthalen-2-yl)amino]-3-oxopropyl]propanamide
CID 134022464
2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 16981517
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
N,4,4-trimethyl-3-oxo-N-phenylpentanamide
CID 134872382
2-[4-(2,2-dimethylpropanoylamino)butanoyl-methylamino]-2-methylpropanoic acid
CID 62817602
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N-methyl-N-phenylnonanamide
CID 54136731
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55027776

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide (CID 10967781) is 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide is CN(C(=O)CCCNC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide?
The InChIKey is CNEXIGKCBSCIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)15(20)17-12-8-11-14(19)18(4)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide?
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide is sourced from PubChem (CID 10967781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).