N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide

C18H28N2O2 — CID 82174760

IUPACN-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCCC1(C)CC(NC(C)=O)c2cc(C(N)C(C)C)ccc2O1
InChIInChI=1S/C18H28N2O2/c1-6-18(5)10-15(20-12(4)21)14-9-13(17(19)11(2)3)7-8-16(14)22-18/h7-9,11,15,17H,6,10,19H2,1-5H3,(H,20,21)
InChIKeyOQJZTCBWLQMMCG-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.47
Rot. Bonds4

About N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide

N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 82174760) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID82174760
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCCC1(C)CC(NC(C)=O)c2cc(C(N)C(C)C)ccc2O1
InChIInChI=1S/C18H28N2O2/c1-6-18(5)10-15(20-12(4)21)14-9-13(17(19)11(2)3)7-8-16(14)22-18/h7-9,11,15,17H,6,10,19H2,1-5H3,(H,20,21)
InChIKeyOQJZTCBWLQMMCG-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide (CID 82174760) is N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide is CCC1(C)CC(NC(C)=O)c2cc(C(N)C(C)C)ccc2O1.
What is the InChIKey of N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is OQJZTCBWLQMMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-18(5)10-15(20-12(4)21)14-9-13(17(19)11(2)3)7-8-16(14)22-18/h7-9,11,15,17H,6,10,19H2,1-5H3,(H,20,21).
What are the key properties of N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide?
N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 82174760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).