N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide

C22H27N3O3 — CID 9433441

IUPACN-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-23-21(26)14-24(4-2)15-22(27)25-18-12-8-9-13-20(18)28-16-19(25)17-10-6-5-7-11-17/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyDCMWNIDMVKRKRJ-IBGZPJMESA-N
MW381.48 g/mol
LogP2.61
Rot. Bonds7

About N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide

N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide (PubChem CID 9433441) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide
PubChem CID9433441
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-23-21(26)14-24(4-2)15-22(27)25-18-12-8-9-13-20(18)28-16-19(25)17-10-6-5-7-11-17/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyDCMWNIDMVKRKRJ-IBGZPJMESA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide (CID 9433441) is N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide is CCNC(=O)CN(CC)CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1.
What is the InChIKey of N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide?
The InChIKey is DCMWNIDMVKRKRJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-23-21(26)14-24(4-2)15-22(27)25-18-12-8-9-13-20(18)28-16-19(25)17-10-6-5-7-11-17/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide?
N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]acetamide is sourced from PubChem (CID 9433441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).