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

C17H25N3O3 — CID 119668071

IUPACN-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCCCC(CN)NC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C17H25N3O3/c1-2-3-6-13(11-18)19-16(21)9-10-20-14-7-4-5-8-15(14)23-12-17(20)22/h4-5,7-8,13H,2-3,6,9-12,18H2,1H3,(H,19,21)
InChIKeyFWORTXUBLWAMPI-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.44
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 119668071) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID119668071
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCCCC(CN)NC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C17H25N3O3/c1-2-3-6-13(11-18)19-16(21)9-10-20-14-7-4-5-8-15(14)23-12-17(20)22/h4-5,7-8,13H,2-3,6,9-12,18H2,1H3,(H,19,21)
InChIKeyFWORTXUBLWAMPI-UHFFFAOYSA-N
XLogP1.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide;hydrochloride
CID 120504850
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate
CID 9278082
N-[3-(aminomethyl)pentan-3-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119571445
N-(1-aminohexan-2-yl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 119665506
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610830
4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
CID 4653840
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35235363

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 119668071) is N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is CCCCC(CN)NC(=O)CCN1C(=O)COc2ccccc21.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is FWORTXUBLWAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-3-6-13(11-18)19-16(21)9-10-20-14-7-4-5-8-15(14)23-12-17(20)22/h4-5,7-8,13H,2-3,6,9-12,18H2,1H3,(H,19,21).
What are the key properties of N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 319.40 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 119668071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).