4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide

C16H27N3O2 — CID 115505387

IUPAC4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(17)6-7-14(15)16(20)18-5/h6-7,10-12H,8-9,17H2,1-5H3,(H,18,20)
InChIKeyOSPAVFHOUFQDMP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.13
Rot. Bonds7

About 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide

4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide (PubChem CID 115505387) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide
PubChem CID115505387
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(17)6-7-14(15)16(20)18-5/h6-7,10-12H,8-9,17H2,1-5H3,(H,18,20)
InChIKeyOSPAVFHOUFQDMP-UHFFFAOYSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.13
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

ethyl 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoate;phosphoric acid
CID 134109853
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
CID 115505662
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
CID 103176833
3-[2-[di(propan-2-yl)amino]ethoxy]-4-nitroaniline
CID 18672688
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide
CID 102721635
methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 115505666
2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
CID 115505667
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
CID 106955525
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide (CID 115505387) is 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1OCCN(C(C)C)C(C)C.
What is the InChIKey of 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide?
The InChIKey is OSPAVFHOUFQDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(17)6-7-14(15)16(20)18-5/h6-7,10-12H,8-9,17H2,1-5H3,(H,18,20).
What are the key properties of 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide?
4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide is sourced from PubChem (CID 115505387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).