3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide

C23H28N4O4 — CID 18204760

IUPAC3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide
SMILESCCN1CC(CN(C)C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)Oc2ccccc21
InChIInChI=1S/C23H28N4O4/c1-5-27-14-20(31-22-9-7-6-8-21(22)27)13-26(4)23(30)17-10-18(24-15(2)28)12-19(11-17)25-16(3)29/h6-12,20H,5,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyDBIUGXKAYAXANC-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.96
Rot. Bonds6

About 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide

3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide (PubChem CID 18204760) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide
PubChem CID18204760
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide
SMILESCCN1CC(CN(C)C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)Oc2ccccc21
InChIInChI=1S/C23H28N4O4/c1-5-27-14-20(31-22-9-7-6-8-21(22)27)13-26(4)23(30)17-10-18(24-15(2)28)12-19(11-17)25-16(3)29/h6-12,20H,5,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyDBIUGXKAYAXANC-UHFFFAOYSA-N
XLogP2.96
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-4-methoxy-N-methylbenzamide
CID 24551459
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-methylsulfonylbenzamide
CID 52517187
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 51239164
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 24551493
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 95280449
1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 95153970
N-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-2-oxoethyl]-3-methylbenzamide
CID 46656096
4-amino-N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-nitrobenzamide
CID 40939810
1-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-1-methyl-3-(3-nitrophenyl)urea
CID 24626903
N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
CID 95142790
2-bromo-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-5-fluoro-N-methylbenzamide
CID 24551481
1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 51926766

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide (CID 18204760) is 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide is CCN1CC(CN(C)C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)Oc2ccccc21.
What is the InChIKey of 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide?
The InChIKey is DBIUGXKAYAXANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-27-14-20(31-22-9-7-6-8-21(22)27)13-26(4)23(30)17-10-18(24-15(2)28)12-19(11-17)25-16(3)29/h6-12,20H,5,13-14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide?
3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide has a molecular weight of 424.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 18204760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).