N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide

C21H27NO2 — CID 132651077

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
SMILESCCC(NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-20(19-12-7-15(4)13-16(19)5)22-21(23)17-8-10-18(11-9-17)24-14(2)3/h7-14,20H,6H2,1-5H3,(H,22,23)
InChIKeyIIKBELMJVVKYSE-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.97
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide

N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide (PubChem CID 132651077) 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-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
PubChem CID132651077
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
SMILESCCC(NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-20(19-12-7-15(4)13-16(19)5)22-21(23)17-8-10-18(11-9-17)24-14(2)3/h7-14,20H,6H2,1-5H3,(H,22,23)
InChIKeyIIKBELMJVVKYSE-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310
2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 99997817
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide (CID 132651077) is N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide is CCC(NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide?
The InChIKey is IIKBELMJVVKYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-20(19-12-7-15(4)13-16(19)5)22-21(23)17-8-10-18(11-9-17)24-14(2)3/h7-14,20H,6H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide has a molecular weight of 325.45 g/mol, XLogP of 4.97, 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-propan-2-yloxybenzamide is sourced from PubChem (CID 132651077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).