2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide

C18H28N2O3 — CID 143307482

IUPAC2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide
SMILESCC(C)CCNC1c2cc(CC(N)=O)ccc2OC(C)(C)C1O
InChIInChI=1S/C18H28N2O3/c1-11(2)7-8-20-16-13-9-12(10-15(19)21)5-6-14(13)23-18(3,4)17(16)22/h5-6,9,11,16-17,20,22H,7-8,10H2,1-4H3,(H2,19,21)
InChIKeyVXUUOUBMWCHOEM-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.92
Rot. Bonds6

About 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide

2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide (PubChem CID 143307482) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide
PubChem CID143307482
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide
SMILESCC(C)CCNC1c2cc(CC(N)=O)ccc2OC(C)(C)C1O
InChIInChI=1S/C18H28N2O3/c1-11(2)7-8-20-16-13-9-12(10-15(19)21)5-6-14(13)23-18(3,4)17(16)22/h5-6,9,11,16-17,20,22H,7-8,10H2,1-4H3,(H2,19,21)
InChIKeyVXUUOUBMWCHOEM-UHFFFAOYSA-N
XLogP1.92
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide?
The IUPAC name of 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide (CID 143307482) is 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide.
What is the SMILES notation for 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide?
The canonical SMILES for 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide is CC(C)CCNC1c2cc(CC(N)=O)ccc2OC(C)(C)C1O.
What is the InChIKey of 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide?
The InChIKey is VXUUOUBMWCHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-11(2)7-8-20-16-13-9-12(10-15(19)21)5-6-14(13)23-18(3,4)17(16)22/h5-6,9,11,16-17,20,22H,7-8,10H2,1-4H3,(H2,19,21).
What are the key properties of 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide?
2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2,2-dimethyl-4-(3-methylbutylamino)-3,4-dihydrochromen-6-yl]acetamide is sourced from PubChem (CID 143307482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).