N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide

C14H19N3O4 — CID 106916615

IUPACN,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O4/c1-10(14(19)15-2)8-16(3)9-13(18)11-4-6-12(7-5-11)17(20)21/h4-7,10H,8-9H2,1-3H3,(H,15,19)
InChIKeyLMWPHSRJJWSNRI-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.09
Rot. Bonds7

About N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide

N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide (PubChem CID 106916615) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
PubChem CID106916615
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O4/c1-10(14(19)15-2)8-16(3)9-13(18)11-4-6-12(7-5-11)17(20)21/h4-7,10H,8-9H2,1-3H3,(H,15,19)
InChIKeyLMWPHSRJJWSNRI-UHFFFAOYSA-N
XLogP1.09
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
CID 106916511
3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanoic acid
CID 82136255
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-nitrophenyl)ethanone
CID 63700749
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916621
2-methyl-3-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]propanenitrile
CID 62051688
3-[[4-(4-bromophenyl)-4-oxobutyl]-methylamino]-N,2-dimethylpropanamide
CID 106916620
1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanone
CID 82101560
(2R)-2-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
CID 825773
N-[(2S)-1-(methylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 71396972
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
N,2-dimethyl-3-[methyl(2-oxobutyl)amino]propanamide
CID 106916646
3-[(6-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide (CID 106916615) is N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide is CNC(=O)C(C)CN(C)CC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide?
The InChIKey is LMWPHSRJJWSNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(14(19)15-2)8-16(3)9-13(18)11-4-6-12(7-5-11)17(20)21/h4-7,10H,8-9H2,1-3H3,(H,15,19).
What are the key properties of N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide?
N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide has a molecular weight of 293.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 106916615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).