3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide

C14H23N3O — CID 54979034

IUPAC3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)N(C)C)cc1N
InChIInChI=1S/C14H23N3O/c1-10-6-7-11(8-12(10)15)13(18)16-9-14(2,3)17(4)5/h6-8H,9,15H2,1-5H3,(H,16,18)
InChIKeyBCNUGTATNINQFG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide

3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide (PubChem CID 54979034) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
PubChem CID54979034
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)N(C)C)cc1N
InChIInChI=1S/C14H23N3O/c1-10-6-7-11(8-12(10)15)13(18)16-9-14(2,3)17(4)5/h6-8H,9,15H2,1-5H3,(H,16,18)
InChIKeyBCNUGTATNINQFG-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 83107775
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
2-[[(3-amino-4-methylbenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115430375
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998673
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide (CID 54979034) is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)(C)N(C)C)cc1N.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide?
The InChIKey is BCNUGTATNINQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-6-7-11(8-12(10)15)13(18)16-9-14(2,3)17(4)5/h6-8H,9,15H2,1-5H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide?
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 54979034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).