2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide

C26H29N3O3 — CID 18268985

IUPAC2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide
SMILESCCN1CC(CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)Oc2ccccc21
InChIInChI=1S/C26H29N3O3/c1-3-29-18-21(32-25-16-10-8-14-23(25)29)17-28(2)19-26(30)27-22-13-7-9-15-24(22)31-20-11-5-4-6-12-20/h4-16,21H,3,17-19H2,1-2H3,(H,27,30)
InChIKeyHZRTWEOZCXRJBF-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.64
Rot. Bonds8

About 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide

2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 18268985) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide
PubChem CID18268985
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide
SMILESCCN1CC(CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)Oc2ccccc21
InChIInChI=1S/C26H29N3O3/c1-3-29-18-21(32-25-16-10-8-14-23(25)29)17-28(2)19-26(30)27-22-13-7-9-15-24(22)31-20-11-5-4-6-12-20/h4-16,21H,3,17-19H2,1-2H3,(H,27,30)
InChIKeyHZRTWEOZCXRJBF-UHFFFAOYSA-N
XLogP4.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 18094513
N-(4-bromo-3-methylphenyl)-2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]acetamide
CID 18288660
4-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]acetyl]amino]-N-methylbenzamide
CID 18094585
2-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 41236700
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 91652977
3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide
CID 18204760
N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
CID 95142790
1-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(4-methoxy-2-nitrophenyl)-1-methylurea
CID 42936438
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 109001458
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 31993096

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide (CID 18268985) is 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide is CCN1CC(CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is HZRTWEOZCXRJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-29-18-21(32-25-16-10-8-14-23(25)29)17-28(2)19-26(30)27-22-13-7-9-15-24(22)31-20-11-5-4-6-12-20/h4-16,21H,3,17-19H2,1-2H3,(H,27,30).
What are the key properties of 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide?
2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 18268985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).