N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide

C22H26N2O2 — CID 97090833

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
SMILESCC1(C)CN(CC(=O)N[C@H]2CCOc3ccccc32)Cc2ccccc21
InChIInChI=1S/C22H26N2O2/c1-22(2)15-24(13-16-7-3-5-9-18(16)22)14-21(25)23-19-11-12-26-20-10-6-4-8-17(19)20/h3-10,19H,11-15H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyVEWRNQBSFAXBAR-IBGZPJMESA-N
MW350.46 g/mol
LogP3.42
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide (PubChem CID 97090833) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
PubChem CID97090833
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
SMILESCC1(C)CN(CC(=O)N[C@H]2CCOc3ccccc32)Cc2ccccc21
InChIInChI=1S/C22H26N2O2/c1-22(2)15-24(13-16-7-3-5-9-18(16)22)14-21(25)23-19-11-12-26-20-10-6-4-8-17(19)20/h3-10,19H,11-15H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyVEWRNQBSFAXBAR-IBGZPJMESA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
CID 97090832
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18193012
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide
CID 95630096
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86919603
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide
CID 52538400
N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 84941430
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide (CID 97090833) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide is CC1(C)CN(CC(=O)N[C@H]2CCOc3ccccc32)Cc2ccccc21.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide?
The InChIKey is VEWRNQBSFAXBAR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2)15-24(13-16-7-3-5-9-18(16)22)14-21(25)23-19-11-12-26-20-10-6-4-8-17(19)20/h3-10,19H,11-15H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide is sourced from PubChem (CID 97090833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).