3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide

C13H21N3O2 — CID 82945494

IUPAC3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CN(C)C)cc1N
InChIInChI=1S/C13H21N3O2/c1-9(8-16(2)3)15-13(17)10-5-6-12(18-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyDEQSZTXOHIVEDF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.96
Rot. Bonds5

About 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide

3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide (PubChem CID 82945494) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
PubChem CID82945494
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CN(C)C)cc1N
InChIInChI=1S/C13H21N3O2/c1-9(8-16(2)3)15-13(17)10-5-6-12(18-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3,(H,15,17)
InChIKeyDEQSZTXOHIVEDF-UHFFFAOYSA-N
XLogP0.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.96
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-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 43310728
3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide
CID 19996610
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82939675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide (CID 82945494) is 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)CN(C)C)cc1N.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide?
The InChIKey is DEQSZTXOHIVEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(8-16(2)3)15-13(17)10-5-6-12(18-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide?
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 82945494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).