2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide

C22H30N2O3 — CID 55824439

IUPAC2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)CN(C)Cc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C22H30N2O3/c1-16(2)27-20-12-11-19(13-21(20)26-5)17(3)23-22(25)15-24(4)14-18-9-7-6-8-10-18/h6-13,16-17H,14-15H2,1-5H3,(H,23,25)
InChIKeyJXYVGLADCRSUHU-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.79
Rot. Bonds9

About 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide

2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 55824439) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID55824439
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)CN(C)Cc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C22H30N2O3/c1-16(2)27-20-12-11-19(13-21(20)26-5)17(3)23-22(25)15-24(4)14-18-9-7-6-8-10-18/h6-13,16-17H,14-15H2,1-5H3,(H,23,25)
InChIKeyJXYVGLADCRSUHU-UHFFFAOYSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 46809808
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55706414
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide (CID 55824439) is 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide is COc1cc(C(C)NC(=O)CN(C)Cc2ccccc2)ccc1OC(C)C.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is JXYVGLADCRSUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(2)27-20-12-11-19(13-21(20)26-5)17(3)23-22(25)15-24(4)14-18-9-7-6-8-10-18/h6-13,16-17H,14-15H2,1-5H3,(H,23,25).
What are the key properties of 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 370.49 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55824439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).