2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid

C18H28N2O3 — CID 95416691

IUPAC2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
SMILESCCCN(CCC)CCc1ccc2c(c1)N(CC(=O)O)CCO2
InChIInChI=1S/C18H28N2O3/c1-3-8-19(9-4-2)10-7-15-5-6-17-16(13-15)20(11-12-23-17)14-18(21)22/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,22)
InChIKeySOEGAKMMFOBWGY-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.63
Rot. Bonds9

About 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid

2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (PubChem CID 95416691) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
PubChem CID95416691
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
SMILESCCCN(CCC)CCc1ccc2c(c1)N(CC(=O)O)CCO2
InChIInChI=1S/C18H28N2O3/c1-3-8-19(9-4-2)10-7-15-5-6-17-16(13-15)20(11-12-23-17)14-18(21)22/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,22)
InChIKeySOEGAKMMFOBWGY-UHFFFAOYSA-N
XLogP2.63
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416696
2-[6-[2-(butan-2-ylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 82262013
2-[6-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416692
butanedioic acid;N-[2-(4-naphthalen-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethyl]-N-propylpropan-1-amine
CID 21108213
N-[2-[4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]ethyl]-N-propylpropan-1-amine
CID 21108301
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
CID 82340042
methyl 4-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)butanoate
CID 82533696
2-[6-(2-piperidin-1-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416706
2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416704
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propyl)amino]acetic acid
CID 39364516
ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propylamino]acetate
CID 65446307
2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82142565

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
The IUPAC name of 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (CID 95416691) is 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
The canonical SMILES for 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid is CCCN(CCC)CCc1ccc2c(c1)N(CC(=O)O)CCO2.
What is the InChIKey of 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
The InChIKey is SOEGAKMMFOBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-8-19(9-4-2)10-7-15-5-6-17-16(13-15)20(11-12-23-17)14-18(21)22/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid has a molecular weight of 320.43 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid is sourced from PubChem (CID 95416691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).