N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide

C20H26N2O3 — CID 120884398

IUPACN-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
SMILESCOc1cc(C(=O)N(CCN)CCc2ccccc2)cc(OC)c1C
InChIInChI=1S/C20H26N2O3/c1-15-18(24-2)13-17(14-19(15)25-3)20(23)22(12-10-21)11-9-16-7-5-4-6-8-16/h4-8,13-14H,9-12,21H2,1-3H3
InChIKeyHGNYTLNLBLNMOL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.66
Rot. Bonds8

About N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide

N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide (PubChem CID 120884398) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
PubChem CID120884398
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
SMILESCOc1cc(C(=O)N(CCN)CCc2ccccc2)cc(OC)c1C
InChIInChI=1S/C20H26N2O3/c1-15-18(24-2)13-17(14-19(15)25-3)20(23)22(12-10-21)11-9-16-7-5-4-6-8-16/h4-8,13-14H,9-12,21H2,1-3H3
InChIKeyHGNYTLNLBLNMOL-UHFFFAOYSA-N
XLogP2.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(difluoromethoxy)-3-methoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886341
N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 120886264
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
3-[2-[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]ethylsulfanyl]butanoic acid
CID 131988241
N-(2-aminoethyl)-2-(2,6-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120885592
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 120886021

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide (CID 120884398) is N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide is COc1cc(C(=O)N(CCN)CCc2ccccc2)cc(OC)c1C.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is HGNYTLNLBLNMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-18(24-2)13-17(14-19(15)25-3)20(23)22(12-10-21)11-9-16-7-5-4-6-8-16/h4-8,13-14H,9-12,21H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide?
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120884398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).