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

C16H25ClN2O2 — CID 120563166

IUPAC4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC1CC(C)(C)Oc2ccccc21.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(17)8-9-15(19)18-13-10-16(2,3)20-14-7-5-4-6-12(13)14;/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeyZQGWVOVKAKOBEG-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.95
Rot. Bonds4

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

4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride (PubChem CID 120563166) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
PubChem CID120563166
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC1CC(C)(C)Oc2ccccc21.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(17)8-9-15(19)18-13-10-16(2,3)20-14-7-5-4-6-12(13)14;/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeyZQGWVOVKAKOBEG-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.95
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)butanamide;hydrochloride
CID 119331773
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
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)-3-phenylsulfanylpropanamide
CID 132652300
(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
CID 120992686
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 46975971
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 92626763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride (CID 120563166) is 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride is CC(N)CCC(=O)NC1CC(C)(C)Oc2ccccc21.Cl.
What is the InChIKey of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride?
The InChIKey is ZQGWVOVKAKOBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11(17)8-9-15(19)18-13-10-16(2,3)20-14-7-5-4-6-12(13)14;/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride?
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.95, 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)pentanamide;hydrochloride is sourced from PubChem (CID 120563166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).