N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C16H23N3O3 — CID 119583899

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(C)C(C)CN)C1=O
InChIInChI=1S/C16H23N3O3/c1-11(10-17)18(3)15(20)8-9-19-13-6-4-5-7-14(13)22-12(2)16(19)21/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyOXYDVXGMDVAHGQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.00
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 119583899) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID119583899
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(C)C(C)CN)C1=O
InChIInChI=1S/C16H23N3O3/c1-11(10-17)18(3)15(20)8-9-19-13-6-4-5-7-14(13)22-12(2)16(19)21/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyOXYDVXGMDVAHGQ-UHFFFAOYSA-N
XLogP1.00
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 96517602
N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134063240
4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one
CID 63070110
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 60569346
N-(2-hydroxypropyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 78828367
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
N-(1-amino-2-methylpropan-2-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119523843
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-[cyclobutyl-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]acetic acid
CID 138005418
(2R)-3-methyl-2-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]butanoic acid
CID 92944204
N-[2-(methylamino)propyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 120830439
(2R)-3-methyl-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]butanoic acid
CID 92944206

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 119583899) is N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is CC1Oc2ccccc2N(CCC(=O)N(C)C(C)CN)C1=O.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is OXYDVXGMDVAHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(10-17)18(3)15(20)8-9-19-13-6-4-5-7-14(13)22-12(2)16(19)21/h4-7,11-12H,8-10,17H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 119583899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).