2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide

C18H28N2O2 — CID 51075625

IUPAC2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-14(15-10-7-6-8-11-15)20(5)16(21)12-9-13-19-17(22)18(2,3)4/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,19,22)
InChIKeyHNOXLLLWDYVZKZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.15
Rot. Bonds6

About 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide

2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide (PubChem CID 51075625) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
PubChem CID51075625
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-14(15-10-7-6-8-11-15)20(5)16(21)12-9-13-19-17(22)18(2,3)4/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,19,22)
InChIKeyHNOXLLLWDYVZKZ-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.15
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

2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
CID 65290678
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466353
N-[4-[methyl-[1-(3-nitrophenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 46565406
N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55027776
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
2-[4-(2,2-dimethylpropanoylamino)butanoyl-methylamino]-2-methylpropanoic acid
CID 62817602
2-methyl-4-[methyl(1-phenylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43579990
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide (CID 51075625) is 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide is CC(c1ccccc1)N(C)C(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide?
The InChIKey is HNOXLLLWDYVZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(15-10-7-6-8-11-15)20(5)16(21)12-9-13-19-17(22)18(2,3)4/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,19,22).
What are the key properties of 2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide?
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.15, 6 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-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide is sourced from PubChem (CID 51075625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).