2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide

C8H14N2O3 — CID 142365578

IUPAC2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C)C=O
InChIInChI=1S/C8H14N2O3/c1-9-8(13)7(4-3-5-11)10(2)6-12/h5-7H,3-4H2,1-2H3,(H,9,13)
InChIKeyXOIBALXGYUVZJD-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.83
Rot. Bonds6

About 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide

2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide (PubChem CID 142365578) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
PubChem CID142365578
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C)C=O
InChIInChI=1S/C8H14N2O3/c1-9-8(13)7(4-3-5-11)10(2)6-12/h5-7H,3-4H2,1-2H3,(H,9,13)
InChIKeyXOIBALXGYUVZJD-UHFFFAOYSA-N
XLogP-0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-5-oxopentanamide
CID 20693317
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
2-[[ethyl(methyl)amino]methyl]-N-methyl-5-oxopentanamide
CID 143767998
2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane
CID 153393704
2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide
CID 170749504
4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 169257425
ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 171641510
N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 155583326
tert-butyl 4-[5-(4-formyl-3-methylphenoxy)pentoxy]benzoate;ethane;2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 156713200
5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170737850
N-formyl-4-hydroxy-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 142327258
2-[4-[2-[formyl-[1-(methylamino)-1,5-dioxopentan-2-yl]amino]-N-methylanilino]piperidin-1-yl]acetic acid
CID 167471026

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide (CID 142365578) is 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N(C)C=O.
What is the InChIKey of 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
The InChIKey is XOIBALXGYUVZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-8(13)7(4-3-5-11)10(2)6-12/h5-7H,3-4H2,1-2H3,(H,9,13).
What are the key properties of 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide?
2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide has a molecular weight of 186.21 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 142365578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).