6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one

C17H26N2O2 — CID 63832546

IUPAC6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(CC(C)C(C)(C)C)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H26N2O2/c1-6-18-14(9-11(2)17(3,4)5)12-7-8-13-15(10-12)21-16(20)19-13/h7-8,10-11,14,18H,6,9H2,1-5H3,(H,19,20)
InChIKeyCKAKHPIZWAYWKO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.84
Rot. Bonds5

About 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one

6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one (PubChem CID 63832546) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
PubChem CID63832546
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(CC(C)C(C)(C)C)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H26N2O2/c1-6-18-14(9-11(2)17(3,4)5)12-7-8-13-15(10-12)21-16(20)19-13/h7-8,10-11,14,18H,6,9H2,1-5H3,(H,19,20)
InChIKeyCKAKHPIZWAYWKO-UHFFFAOYSA-N
XLogP3.84
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 103556245
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-[2-chloro-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 116952665
3-(methylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanenitrile
CID 116955187
6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492593
6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114820019
6-[1-(methylamino)-2-methylsulfanylethyl]-3H-1,3-benzoxazol-2-one
CID 116830424
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107001061
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492554
6-(1-amino-3-methylbutan-2-yl)-3H-1,3-benzoxazol-2-one
CID 82494013
6-(1-chloro-3-methylbutyl)-3H-1,3-benzoxazol-2-one
CID 61086442

Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one (CID 63832546) is 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one is CCNC(CC(C)C(C)(C)C)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is CKAKHPIZWAYWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-18-14(9-11(2)17(3,4)5)12-7-8-13-15(10-12)21-16(20)19-13/h7-8,10-11,14,18H,6,9H2,1-5H3,(H,19,20).
What are the key properties of 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one?
6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 290.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 63832546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).