N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide

C21H27NO3 — CID 9264228

IUPACN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)25-13-17-7-9-18(10-8-17)21(23)22-16(4)19-12-15(3)6-11-20(19)24-5/h6-12,14,16H,13H2,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyUMDSSNSTHGXSIC-INIZCTEOSA-N
MW341.45 g/mol
LogP4.42
Rot. Bonds7

About N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide (PubChem CID 9264228) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
PubChem CID9264228
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)25-13-17-7-9-18(10-8-17)21(23)22-16(4)19-12-15(3)6-11-20(19)24-5/h6-12,14,16H,13H2,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyUMDSSNSTHGXSIC-INIZCTEOSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55622665
6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
CID 52501301
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9264258
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide (CID 9264228) is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide is COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is UMDSSNSTHGXSIC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(2)25-13-17-7-9-18(10-8-17)21(23)22-16(4)19-12-15(3)6-11-20(19)24-5/h6-12,14,16H,13H2,1-5H3,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide?
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 341.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 9264228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).