4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide

C17H20N2O2 — CID 63358467

IUPAC4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide
SMILESCC(Oc1cc(C(=O)N(C)C)ccc1N)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(13-7-5-4-6-8-13)21-16-11-14(9-10-15(16)18)17(20)19(2)3/h4-12H,18H2,1-3H3
InChIKeyATOYUUTTYTVVSV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide

4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide (PubChem CID 63358467) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide
PubChem CID63358467
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide
SMILESCC(Oc1cc(C(=O)N(C)C)ccc1N)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(13-7-5-4-6-8-13)21-16-11-14(9-10-15(16)18)17(20)19(2)3/h4-12H,18H2,1-3H3
InChIKeyATOYUUTTYTVVSV-UHFFFAOYSA-N
XLogP3.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
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

3-amino-N,N-dimethyl-4-(1-phenylethoxy)benzamide
CID 82993190
4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
CID 102980332
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
4-amino-3-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43379835
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187
4-amino-N,N-dimethyl-3-pyridin-3-yloxybenzamide
CID 63358470
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
3-(1-aminoethyl)-N,N-dimethylbenzamide
CID 70320648
4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
CID 131254878
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide (CID 63358467) is 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide is CC(Oc1cc(C(=O)N(C)C)ccc1N)c1ccccc1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide?
The InChIKey is ATOYUUTTYTVVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(13-7-5-4-6-8-13)21-16-11-14(9-10-15(16)18)17(20)19(2)3/h4-12H,18H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide?
4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.11, 4 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-(1-phenylethoxy)benzamide is sourced from PubChem (CID 63358467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).