4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride

C15H23ClN2O2 — CID 119331773

IUPAC4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
SMILESCC1(C)CC(NC(=O)CCCN)c2ccccc2O1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(2)10-12(17-14(18)8-5-9-16)11-6-3-4-7-13(11)19-15;/h3-4,6-7,12H,5,8-10,16H2,1-2H3,(H,17,18);1H
InChIKeyYUTKRKAYUYVVCS-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.57
Rot. Bonds4

About 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride

4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride (PubChem CID 119331773) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
PubChem CID119331773
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
SMILESCC1(C)CC(NC(=O)CCCN)c2ccccc2O1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(2)10-12(17-14(18)8-5-9-16)11-6-3-4-7-13(11)19-15;/h3-4,6-7,12H,5,8-10,16H2,1-2H3,(H,17,18);1H
InChIKeyYUTKRKAYUYVVCS-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
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3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 133224712
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
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3-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylbutanamide;hydrochloride
CID 120501370
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
CID 120992686
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 46975971

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride (CID 119331773) is 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride is CC1(C)CC(NC(=O)CCCN)c2ccccc2O1.Cl.
What is the InChIKey of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride?
The InChIKey is YUTKRKAYUYVVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-15(2)10-12(17-14(18)8-5-9-16)11-6-3-4-7-13(11)19-15;/h3-4,6-7,12H,5,8-10,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride?
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 119331773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).