N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

C22H28N2O — CID 71811983

IUPACN-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O/c1-16(25)23-20-11-12-21-18(14-20)6-5-13-24(21)15-17-7-9-19(10-8-17)22(2,3)4/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,25)
InChIKeyYMSRIZQWUFDVIX-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.90
Rot. Bonds3

About N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 71811983) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID71811983
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O/c1-16(25)23-20-11-12-21-18(14-20)6-5-13-24(21)15-17-7-9-19(10-8-17)22(2,3)4/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,25)
InChIKeyYMSRIZQWUFDVIX-UHFFFAOYSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811962
N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71812001
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811966
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-amine;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 160896240
N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811900
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811923
N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811920
N-[1-[[4-(5-methyl-2H-pyrrol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 162001883
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzoic acid;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methyl-N-phenylbenzamide;N-methylaniline
CID 159527515

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 71811983) is N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is YMSRIZQWUFDVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16(25)23-20-11-12-21-18(14-20)6-5-13-24(21)15-17-7-9-19(10-8-17)22(2,3)4/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 71811983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).