N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide

C19H23NO3 — CID 1225343

IUPACN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](C)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H23NO3/c1-12-6-7-13(2)18(8-12)14(3)20-19(21)15-9-16(22-4)11-17(10-15)23-5/h6-11,14H,1-5H3,(H,20,21)/t14-/m0/s1
InChIKeyYTGSUMPDRZVHCL-AWEZNQCLSA-N
MW313.40 g/mol
LogP3.81
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 1225343) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
PubChem CID1225343
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](C)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H23NO3/c1-12-6-7-13(2)18(8-12)14(3)20-19(21)15-9-16(22-4)11-17(10-15)23-5/h6-11,14H,1-5H3,(H,20,21)/t14-/m0/s1
InChIKeyYTGSUMPDRZVHCL-AWEZNQCLSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17327516
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 92646642
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 26752989
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide (CID 1225343) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@@H](C)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is YTGSUMPDRZVHCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-6-7-13(2)18(8-12)14(3)20-19(21)15-9-16(22-4)11-17(10-15)23-5/h6-11,14H,1-5H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1225343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).