3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide

C13H21N3O2 — CID 61094954

IUPAC3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H21N3O2/c1-16(2)12-6-5-10(9-11(12)14)13(17)15-7-4-8-18-3/h5-6,9H,4,7-8,14H2,1-3H3,(H,15,17)
InChIKeyPQYHUALCZWHFOX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds6

About 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide

3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide (PubChem CID 61094954) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
PubChem CID61094954
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H21N3O2/c1-16(2)12-6-5-10(9-11(12)14)13(17)15-7-4-8-18-3/h5-6,9H,4,7-8,14H2,1-3H3,(H,15,17)
InChIKeyPQYHUALCZWHFOX-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332615
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106179724
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide (CID 61094954) is 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide?
The InChIKey is PQYHUALCZWHFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)12-6-5-10(9-11(12)14)13(17)15-7-4-8-18-3/h5-6,9H,4,7-8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide?
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 61094954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).