N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide

C20H22N2O2 — CID 110750127

IUPACN-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2Cc3ccccc3C(C)(C)C2)c1
InChIInChI=1S/C20H22N2O2/c1-14(23)21-17-9-6-8-15(11-17)19(24)22-12-16-7-4-5-10-18(16)20(2,3)13-22/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyXBMNHCLAPBGCBV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.58
Rot. Bonds2

About N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide

N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide (PubChem CID 110750127) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide
PubChem CID110750127
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2Cc3ccccc3C(C)(C)C2)c1
InChIInChI=1S/C20H22N2O2/c1-14(23)21-17-9-6-8-15(11-17)19(24)22-12-16-7-4-5-10-18(16)20(2,3)13-22/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyXBMNHCLAPBGCBV-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(3,3-dimethyl-1,4-diazepane-1-carbonyl)phenyl]acetamide
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N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
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N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
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N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
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iodo 4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
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4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
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CID 889511

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide (CID 110750127) is N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2Cc3ccccc3C(C)(C)C2)c1.
What is the InChIKey of N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide?
The InChIKey is XBMNHCLAPBGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(23)21-17-9-6-8-15(11-17)19(24)22-12-16-7-4-5-10-18(16)20(2,3)13-22/h4-11H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide?
N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110750127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).