N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide

C14H22N4O2 — CID 76987732

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide
SMILESCC(CC(N)=NO)N(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-10(8-13(15)16-20)18(4)14(19)11-6-5-7-12(9-11)17(2)3/h5-7,9-10,20H,8H2,1-4H3,(H2,15,16)
InChIKeyRGMKRRMEZQBDTJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds5

About N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide (PubChem CID 76987732) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide
PubChem CID76987732
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide
SMILESCC(CC(N)=NO)N(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-10(8-13(15)16-20)18(4)14(19)11-6-5-7-12(9-11)17(2)3/h5-7,9-10,20H,8H2,1-4H3,(H2,15,16)
InChIKeyRGMKRRMEZQBDTJ-UHFFFAOYSA-N
XLogP1.35
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-hydroxyiminobutan-2-yl)-3-hydroxy-N-methylbenzamide
CID 76987839
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide
CID 76987444
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 76987759
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 63223051
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dibromo-N-methylbenzamide
CID 107940566
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113489

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide (CID 76987732) is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide is CC(CC(N)=NO)N(C)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide?
The InChIKey is RGMKRRMEZQBDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(8-13(15)16-20)18(4)14(19)11-6-5-7-12(9-11)17(2)3/h5-7,9-10,20H,8H2,1-4H3,(H2,15,16).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide has a molecular weight of 278.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 76987732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).