N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide

C21H27NO3 — CID 95601254

IUPACN-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C21H27NO3/c1-14(15-10-12-16(13-11-15)21(2,3)4)22-20(23)17-8-7-9-18(24-5)19(17)25-6/h7-14H,1-6H3,(H,22,23)/t14-/m1/s1
InChIKeyJPQYUQHFBWEKSH-CQSZACIVSA-N
MW341.45 g/mol
LogP4.49
Rot. Bonds5

About N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 95601254) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
PubChem CID95601254
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C21H27NO3/c1-14(15-10-12-16(13-11-15)21(2,3)4)22-20(23)17-8-7-9-18(24-5)19(17)25-6/h7-14H,1-6H3,(H,22,23)/t14-/m1/s1
InChIKeyJPQYUQHFBWEKSH-CQSZACIVSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187767
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 7028903
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide (CID 95601254) is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1OC.
What is the InChIKey of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is JPQYUQHFBWEKSH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(15-10-12-16(13-11-15)21(2,3)4)22-20(23)17-8-7-9-18(24-5)19(17)25-6/h7-14H,1-6H3,(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide?
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 341.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 95601254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).