3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide

C14H22N2O3 — CID 82992732

IUPAC3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
SMILESCC(C)OCCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H22N2O3/c1-10(2)18-7-8-19-13-6-5-11(9-12(13)15)14(17)16(3)4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyJOOORNCPMWBQKA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.77
Rot. Bonds6

About 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide

3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide (PubChem CID 82992732) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
PubChem CID82992732
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
SMILESCC(C)OCCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C14H22N2O3/c1-10(2)18-7-8-19-13-6-5-11(9-12(13)15)14(17)16(3)4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyJOOORNCPMWBQKA-UHFFFAOYSA-N
XLogP1.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
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-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
CID 82989969
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
5-methylsulfonyl-2-(2-propan-2-yloxyethoxy)aniline
CID 43382647
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
3-amino-N,N-dimethyl-4-(1-phenylethoxy)benzamide
CID 82993190
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
2-methylpropyl 3-amino-4-[2-(dimethylamino)ethoxy]benzoate
CID 82057399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide (CID 82992732) is 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide is CC(C)OCCOc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide?
The InChIKey is JOOORNCPMWBQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)18-7-8-19-13-6-5-11(9-12(13)15)14(17)16(3)4/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide?
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide is sourced from PubChem (CID 82992732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).