N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide

C15H21N3O3 — CID 94176787

IUPACN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C15H21N3O3/c1-9(2)18(4)8-14(19)16-11-5-6-13-12(7-11)17-15(20)10(3)21-13/h5-7,9-10H,8H2,1-4H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyKQQCTGWEWGCNCI-SNVBAGLBSA-N
MW291.35 g/mol
LogP1.68
Rot. Bonds4

About N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 94176787) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID94176787
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C15H21N3O3/c1-9(2)18(4)8-14(19)16-11-5-6-13-12(7-11)17-15(20)10(3)21-13/h5-7,9-10H,8H2,1-4H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyKQQCTGWEWGCNCI-SNVBAGLBSA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
N-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobutan-2-yl]benzamide
CID 46628672
2-amino-3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273978
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide (CID 94176787) is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is KQQCTGWEWGCNCI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)18(4)8-14(19)16-11-5-6-13-12(7-11)17-15(20)10(3)21-13/h5-7,9-10H,8H2,1-4H3,(H,16,19)(H,17,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 94176787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).