3-amino-N,N-diethyl-4-methoxybenzamide

C12H18N2O2 — CID 16770695

IUPAC3-amino-N,N-diethyl-4-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)9-6-7-11(16-3)10(13)8-9/h6-8H,4-5,13H2,1-3H3
InChIKeyZCHLABVDFQNZED-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-N,N-diethyl-4-methoxybenzamide

3-amino-N,N-diethyl-4-methoxybenzamide (PubChem CID 16770695) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4-methoxybenzamide
PubChem CID16770695
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N,N-diethyl-4-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)9-6-7-11(16-3)10(13)8-9/h6-8H,4-5,13H2,1-3H3
InChIKeyZCHLABVDFQNZED-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740
3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
CID 61102199
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-4-methoxybenzamide?
The IUPAC name of 3-amino-N,N-diethyl-4-methoxybenzamide (CID 16770695) is 3-amino-N,N-diethyl-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4-methoxybenzamide?
The canonical SMILES for 3-amino-N,N-diethyl-4-methoxybenzamide is CCN(CC)C(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N,N-diethyl-4-methoxybenzamide?
The InChIKey is ZCHLABVDFQNZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(5-2)12(15)9-6-7-11(16-3)10(13)8-9/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 3-amino-N,N-diethyl-4-methoxybenzamide?
3-amino-N,N-diethyl-4-methoxybenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-4-methoxybenzamide is sourced from PubChem (CID 16770695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).