N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C14H19N3O3 — CID 39163215

IUPACN-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NCCN)C(=O)CO2
InChIInChI=1S/C14H19N3O3/c1-10-2-3-12-11(8-10)17(14(19)9-20-12)7-4-13(18)16-6-5-15/h2-3,8H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyDUVRVBUMHYYSKY-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.19
Rot. Bonds5

About N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 39163215) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID39163215
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NCCN)C(=O)CO2
InChIInChI=1S/C14H19N3O3/c1-10-2-3-12-11(8-10)17(14(19)9-20-12)7-4-13(18)16-6-5-15/h2-3,8H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyDUVRVBUMHYYSKY-UHFFFAOYSA-N
XLogP0.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46246200
3-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-aminoethyl)propanamide
CID 39162227
4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one
CID 82142296
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 42786112
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 4104320
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 3252883
4-hexyl-6-methyl-1,4-benzoxazin-3-one
CID 143253505
N-[2-(azepan-1-ium-1-yl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3600725
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42786104
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 91907346

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 39163215) is N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is Cc1ccc2c(c1)N(CCC(=O)NCCN)C(=O)CO2.
What is the InChIKey of N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is DUVRVBUMHYYSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-2-3-12-11(8-10)17(14(19)9-20-12)7-4-13(18)16-6-5-15/h2-3,8H,4-7,9,15H2,1H3,(H,16,18).
What are the key properties of N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 39163215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).