3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide

C12H17N3O3 — CID 43310728

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C)cc1N
InChIInChI=1S/C12H17N3O3/c1-15(2)11(16)7-14-12(17)8-4-5-10(18-3)9(13)6-8/h4-6H,7,13H2,1-3H3,(H,14,17)
InChIKeyJUZWIABRWWMPPV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.10
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 43310728) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID43310728
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C)cc1N
InChIInChI=1S/C12H17N3O3/c1-15(2)11(16)7-14-12(17)8-4-5-10(18-3)9(13)6-8/h4-6H,7,13H2,1-3H3,(H,14,17)
InChIKeyJUZWIABRWWMPPV-UHFFFAOYSA-N
XLogP0.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
CID 61102199
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
3-amino-4-methoxy-N-(3-methylsulfinylpropyl)benzamide
CID 113487114
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide (CID 43310728) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is JUZWIABRWWMPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(2)11(16)7-14-12(17)8-4-5-10(18-3)9(13)6-8/h4-6H,7,13H2,1-3H3,(H,14,17).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 43310728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).