2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C23H28N2O3 — CID 69061410

IUPAC2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC1(C)Oc2ccc(CC(=O)NC3CCCc4ccccc43)cc2C(N)C1O
InChIInChI=1S/C23H28N2O3/c1-23(2)22(27)21(24)17-12-14(10-11-19(17)28-23)13-20(26)25-18-9-5-7-15-6-3-4-8-16(15)18/h3-4,6,8,10-12,18,21-22,27H,5,7,9,13,24H2,1-2H3,(H,25,26)
InChIKeyZDEFBSBMTWEBNE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 69061410) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID69061410
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC1(C)Oc2ccc(CC(=O)NC3CCCc4ccccc43)cc2C(N)C1O
InChIInChI=1S/C23H28N2O3/c1-23(2)22(27)21(24)17-12-14(10-11-19(17)28-23)13-20(26)25-18-9-5-7-15-6-3-4-8-16(15)18/h3-4,6,8,10-12,18,21-22,27H,5,7,9,13,24H2,1-2H3,(H,25,26)
InChIKeyZDEFBSBMTWEBNE-UHFFFAOYSA-N
XLogP2.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylchromen-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 69059759
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 7456949
2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55855389
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxetane-3-carboxamide
CID 146022448
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92519603
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 69061410) is 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC1(C)Oc2ccc(CC(=O)NC3CCCc4ccccc43)cc2C(N)C1O.
What is the InChIKey of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ZDEFBSBMTWEBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2)22(27)21(24)17-12-14(10-11-19(17)28-23)13-20(26)25-18-9-5-7-15-6-3-4-8-16(15)18/h3-4,6,8,10-12,18,21-22,27H,5,7,9,13,24H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 69061410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).