2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide

C18H22N2O3 — CID 8694017

IUPAC2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(N)=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-20(12-18(19)21)11-15-8-9-16(17(10-15)22-2)23-13-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H2,19,21)
InChIKeyAWCCEJWIIKYFFJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds8

About 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide

2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8694017) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
PubChem CID8694017
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(N)=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-20(12-18(19)21)11-15-8-9-16(17(10-15)22-2)23-13-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H2,19,21)
InChIKeyAWCCEJWIIKYFFJ-UHFFFAOYSA-N
XLogP2.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 9058399
N-(2,3-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434477
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694047
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide (CID 8694017) is 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide is COc1cc(CN(C)CC(N)=O)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is AWCCEJWIIKYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(12-18(19)21)11-15-8-9-16(17(10-15)22-2)23-13-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H2,19,21).
What are the key properties of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide?
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8694017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).