4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide

C14H22N2O2 — CID 102980332

IUPAC4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
SMILESCCCC(C)Oc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-5-6-10(2)18-13-9-11(7-8-12(13)15)14(17)16(3)4/h7-10H,5-6,15H2,1-4H3
InChIKeyAHDOXXIOUOSLHG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds5

About 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide

4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide (PubChem CID 102980332) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
PubChem CID102980332
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
SMILESCCCC(C)Oc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-5-6-10(2)18-13-9-11(7-8-12(13)15)14(17)16(3)4/h7-10H,5-6,15H2,1-4H3
InChIKeyAHDOXXIOUOSLHG-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide
CID 63358467
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187
4-amino-3-octan-2-yloxybenzamide
CID 63356712
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
4-amino-3-butan-2-yloxy-N-methylbenzamide
CID 63357542
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
4-amino-3-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43379835
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide (CID 102980332) is 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide is CCCC(C)Oc1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide?
The InChIKey is AHDOXXIOUOSLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-6-10(2)18-13-9-11(7-8-12(13)15)14(17)16(3)4/h7-10H,5-6,15H2,1-4H3.
What are the key properties of 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide?
4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide is sourced from PubChem (CID 102980332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).