N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide

C18H28N2O2 — CID 82174880

IUPACN-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCCC1(CC)CC(NC(C)=O)c2cc(C(C)N)cc(C)c2O1
InChIInChI=1S/C18H28N2O2/c1-6-18(7-2)10-16(20-13(5)21)15-9-14(12(4)19)8-11(3)17(15)22-18/h8-9,12,16H,6-7,10,19H2,1-5H3,(H,20,21)
InChIKeyCFMCMOOGRXZXOM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.53
Rot. Bonds4

About N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide

N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 82174880) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID82174880
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCCC1(CC)CC(NC(C)=O)c2cc(C(C)N)cc(C)c2O1
InChIInChI=1S/C18H28N2O2/c1-6-18(7-2)10-16(20-13(5)21)15-9-14(12(4)19)8-11(3)17(15)22-18/h8-9,12,16H,6-7,10,19H2,1-5H3,(H,20,21)
InChIKeyCFMCMOOGRXZXOM-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-6,8-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462506
N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174760
N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174955
N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174797
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161
N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174719
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
CID 133202111
N-[6-(1-hydroxy-2,2-dimethylpropyl)-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174806
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide (CID 82174880) is N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide is CCC1(CC)CC(NC(C)=O)c2cc(C(C)N)cc(C)c2O1.
What is the InChIKey of N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is CFMCMOOGRXZXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-18(7-2)10-16(20-13(5)21)15-9-14(12(4)19)8-11(3)17(15)22-18/h8-9,12,16H,6-7,10,19H2,1-5H3,(H,20,21).
What are the key properties of N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide?
N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-aminoethyl)-2,2-diethyl-8-methyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 82174880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).