4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one

C15H22N2O2 — CID 82162476

IUPAC4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2ccccc2N(CCCN)C1=O
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2)14(18)17(11-7-10-16)12-8-5-6-9-13(12)19-15/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3
InChIKeyYUDIKZYQQFFYBR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.32
Rot. Bonds5

About 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one

4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one (PubChem CID 82162476) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one
PubChem CID82162476
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2ccccc2N(CCCN)C1=O
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2)14(18)17(11-7-10-16)12-8-5-6-9-13(12)19-15/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3
InChIKeyYUDIKZYQQFFYBR-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AC-260584
CID 9928284
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
2H-1,4-benzoxazin-3(4H)-one
CID 72757
8-((6,6-dimethylhepta-2,4-diyn-1-yl)(methyl)amino)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 102008720
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092
6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 6483753
2H-1,4-Benzoxazin-3(4H)-one,4-methyl-
CID 89032
2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 301730

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one (CID 82162476) is 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one is CCC1(CC)Oc2ccccc2N(CCCN)C1=O.
What is the InChIKey of 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one?
The InChIKey is YUDIKZYQQFFYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(4-2)14(18)17(11-7-10-16)12-8-5-6-9-13(12)19-15/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one?
4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82162476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).