4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide

C15H22N2O2 — CID 115155987

IUPAC4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O2/c1-11(7-8-16)15(18)17(2)13-5-6-14-12(10-13)4-3-9-19-14/h5-6,10-11H,3-4,7-9,16H2,1-2H3
InChIKeyKJZVKEFHRDKSCH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide

4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide (PubChem CID 115155987) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
PubChem CID115155987
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O2/c1-11(7-8-16)15(18)17(2)13-5-6-14-12(10-13)4-3-9-19-14/h5-6,10-11H,3-4,7-9,16H2,1-2H3
InChIKeyKJZVKEFHRDKSCH-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
CID 115153584
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
CID 115154596
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide
CID 82496343
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283
4-amino-N-(1,3-benzoxazol-6-yl)-N,2-dimethylbutanamide
CID 115155993
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137444
4-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylbutanoic acid
CID 115220543
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
4-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbutanamide
CID 80541657

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide (CID 115155987) is 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide is CC(CCN)C(=O)N(C)c1ccc2c(c1)CCCO2.
What is the InChIKey of 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide?
The InChIKey is KJZVKEFHRDKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(7-8-16)15(18)17(2)13-5-6-14-12(10-13)4-3-9-19-14/h5-6,10-11H,3-4,7-9,16H2,1-2H3.
What are the key properties of 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide?
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide is sourced from PubChem (CID 115155987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).