6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one

C17H26N2O2 — CID 62299894

IUPAC6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(CC(C)(C)C)NC)ccc21
InChIInChI=1S/C17H26N2O2/c1-6-9-19-14-8-7-12(10-15(14)21-16(19)20)13(18-5)11-17(2,3)4/h7-8,10,13,18H,6,9,11H2,1-5H3
InChIKeyKQVZWRLKHISUHL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.70
Rot. Bonds5

About 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one

6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one (PubChem CID 62299894) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one
PubChem CID62299894
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(CC(C)(C)C)NC)ccc21
InChIInChI=1S/C17H26N2O2/c1-6-9-19-14-8-7-12(10-15(14)21-16(19)20)13(18-5)11-17(2,3)4/h7-8,10,13,18H,6,9,11H2,1-5H3
InChIKeyKQVZWRLKHISUHL-UHFFFAOYSA-N
XLogP3.70
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one
CID 62298654
6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-(1-chloro-2-ethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 63444227
6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298459
6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300946
3-methyl-6-[1-(methylamino)-2-sulfanylethyl]-1,3-benzoxazol-2-one
CID 116830693
6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
CID 82341307
3-propyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299003
6-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787233
3-ethyl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]-1,3-benzoxazol-2-one
CID 55053835

Frequently Asked Questions

What is the IUPAC name of 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one (CID 62299894) is 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2cc(C(CC(C)(C)C)NC)ccc21.
What is the InChIKey of 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is KQVZWRLKHISUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-9-19-14-8-7-12(10-15(14)21-16(19)20)13(18-5)11-17(2,3)4/h7-8,10,13,18H,6,9,11H2,1-5H3.
What are the key properties of 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one?
6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 290.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62299894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).