N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

C18H22N2O4 — CID 119384512

IUPACN-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCN)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H22N2O4/c1-22-15-10-14(18(21)20-9-8-19)11-16(23-2)17(15)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12,19H2,1-2H3,(H,20,21)
InChIKeyYXIHHVKOUHMASL-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.97
Rot. Bonds8

About N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 119384512) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID119384512
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCN)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H22N2O4/c1-22-15-10-14(18(21)20-9-8-19)11-16(23-2)17(15)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12,19H2,1-2H3,(H,20,21)
InChIKeyYXIHHVKOUHMASL-UHFFFAOYSA-N
XLogP1.97
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 25210199
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684
N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55450378
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 119384512) is N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCN)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is YXIHHVKOUHMASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-15-10-14(18(21)20-9-8-19)11-16(23-2)17(15)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 330.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 119384512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).