2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

C27H26N2O2 — CID 40645687

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c1-18-23-11-7-8-12-25(23)28-19(2)24(18)17-26(30)29-27(20-9-5-4-6-10-20)21-13-15-22(31-3)16-14-21/h4-16,27H,17H2,1-3H3,(H,29,30)/t27-/m1/s1
InChIKeyNAQRTWWQXNHMSV-HHHXNRCGSA-N
MW410.52 g/mol
LogP5.31
Rot. Bonds6

About 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 40645687) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID40645687
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c1-18-23-11-7-8-12-25(23)28-19(2)24(18)17-26(30)29-27(20-9-5-4-6-10-20)21-13-15-22(31-3)16-14-21/h4-16,27H,17H2,1-3H3,(H,29,30)/t27-/m1/s1
InChIKeyNAQRTWWQXNHMSV-HHHXNRCGSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25350381
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31405313
2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55433228
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (CID 40645687) is 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc([C@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2ccccc2)cc1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is NAQRTWWQXNHMSV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-18-23-11-7-8-12-25(23)28-19(2)24(18)17-26(30)29-27(20-9-5-4-6-10-20)21-13-15-22(31-3)16-14-21/h4-16,27H,17H2,1-3H3,(H,29,30)/t27-/m1/s1.
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 40645687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).