3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide

C14H21N3O3 — CID 106274696

IUPAC3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(N)c1OC
InChIInChI=1S/C14H21N3O3/c1-14(2,13(19)16-3)8-17-12(18)9-6-5-7-10(15)11(9)20-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKXERQRUIINQQDR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide

3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide (PubChem CID 106274696) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
PubChem CID106274696
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(N)c1OC
InChIInChI=1S/C14H21N3O3/c1-14(2,13(19)16-3)8-17-12(18)9-6-5-7-10(15)11(9)20-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKXERQRUIINQQDR-UHFFFAOYSA-N
XLogP0.78
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
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-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methoxybenzamide
CID 106242351
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]benzoic acid
CID 106275615
tert-butyl N-[3-[(3-amino-2-methoxybenzoyl)amino]propyl]carbamate
CID 104932608
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106278672
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103992187

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide (CID 106274696) is 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide is CNC(=O)C(C)(C)CNC(=O)c1cccc(N)c1OC.
What is the InChIKey of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is KXERQRUIINQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,13(19)16-3)8-17-12(18)9-6-5-7-10(15)11(9)20-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide?
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 106274696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).