N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide

C21H27NO2 — CID 133265324

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC(CC)c2ccc(C)cc2C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-19(18-10-8-14(3)12-15(18)4)22-21(23)17-9-11-20(24-7-2)16(5)13-17/h8-13,19H,6-7H2,1-5H3,(H,22,23)
InChIKeyWSIFVEHJKFPRHK-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.89
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide

N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide (PubChem CID 133265324) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
PubChem CID133265324
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC(CC)c2ccc(C)cc2C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-19(18-10-8-14(3)12-15(18)4)22-21(23)17-9-11-20(24-7-2)16(5)13-17/h8-13,19H,6-7H2,1-5H3,(H,22,23)
InChIKeyWSIFVEHJKFPRHK-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 99997817
N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310
4-chloro-N-[1-(2,4-dimethylphenyl)propyl]-3-nitrobenzamide
CID 132652761
N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide
CID 86938286
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716496
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide (CID 133265324) is N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NC(CC)c2ccc(C)cc2C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide?
The InChIKey is WSIFVEHJKFPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-19(18-10-8-14(3)12-15(18)4)22-21(23)17-9-11-20(24-7-2)16(5)13-17/h8-13,19H,6-7H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide has a molecular weight of 325.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 133265324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).