N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide

C23H29NO3 — CID 43044181

IUPACN-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(CCCNC(=O)c2cccc(OCC3CCCO3)c2)c(C)c1
InChIInChI=1S/C23H29NO3/c1-17-10-11-19(18(2)14-17)7-4-12-24-23(25)20-6-3-8-21(15-20)27-16-22-9-5-13-26-22/h3,6,8,10-11,14-15,22H,4-5,7,9,12-13,16H2,1-2H3,(H,24,25)
InChIKeyWEGVPQPOBFCQSG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.22
Rot. Bonds8

About N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43044181) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID43044181
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(CCCNC(=O)c2cccc(OCC3CCCO3)c2)c(C)c1
InChIInChI=1S/C23H29NO3/c1-17-10-11-19(18(2)14-17)7-4-12-24-23(25)20-6-3-8-21(15-20)27-16-22-9-5-13-26-22/h3,6,8,10-11,14-15,22H,4-5,7,9,12-13,16H2,1-2H3,(H,24,25)
InChIKeyWEGVPQPOBFCQSG-UHFFFAOYSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 43044181) is N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(CCCNC(=O)c2cccc(OCC3CCCO3)c2)c(C)c1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is WEGVPQPOBFCQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-10-11-19(18(2)14-17)7-4-12-24-23(25)20-6-3-8-21(15-20)27-16-22-9-5-13-26-22/h3,6,8,10-11,14-15,22H,4-5,7,9,12-13,16H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43044181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).