2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide

C20H26N2O4 — CID 48634166

IUPAC2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(OC)cc(Oc2ccc(CNCC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4/c1-14(2)22-20(23)13-21-12-15-5-7-16(8-6-15)26-19-10-17(24-3)9-18(11-19)25-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyZJLDKHDFAGLCRC-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.11
Rot. Bonds9

About 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide

2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide (PubChem CID 48634166) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide
PubChem CID48634166
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(OC)cc(Oc2ccc(CNCC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4/c1-14(2)22-20(23)13-21-12-15-5-7-16(8-6-15)26-19-10-17(24-3)9-18(11-19)25-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyZJLDKHDFAGLCRC-UHFFFAOYSA-N
XLogP3.11
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
CID 60673041
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
1-[(4-methoxyphenyl)methylamino]-3-methylbutan-2-one
CID 177295585
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
3-[[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]methyl]benzoic acid
CID 166380700
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide (CID 48634166) is 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide is COc1cc(OC)cc(Oc2ccc(CNCC(=O)NC(C)C)cc2)c1.
What is the InChIKey of 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide?
The InChIKey is ZJLDKHDFAGLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(2)22-20(23)13-21-12-15-5-7-16(8-6-15)26-19-10-17(24-3)9-18(11-19)25-4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide?
2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide has a molecular weight of 358.44 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 48634166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).