N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

C11H22N2O3 — CID 55027776

IUPACN-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCON(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)10(15)12-8-6-7-9(14)13(4)16-5/h6-8H2,1-5H3,(H,12,15)
InChIKeyZVFHJEFSYCGEJV-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.95
Rot. Bonds5

About N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 55027776) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID55027776
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCON(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)10(15)12-8-6-7-9(14)13(4)16-5/h6-8H2,1-5H3,(H,12,15)
InChIKeyZVFHJEFSYCGEJV-UHFFFAOYSA-N
XLogP0.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
2-[4-(2,2-dimethylpropanoylamino)butanoyl-methylamino]-2-methylpropanoic acid
CID 62817602
N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 61234331
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
CID 129136804
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
CID 51075625
N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 79387815
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
methyl 2-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-methylbutanoate
CID 43422536

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 55027776) is N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is CON(C)C(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is ZVFHJEFSYCGEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)10(15)12-8-6-7-9(14)13(4)16-5/h6-8H2,1-5H3,(H,12,15).
What are the key properties of N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55027776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).