N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide

C20H25NO3 — CID 51065574

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H25NO3/c1-14(2)24-18-10-8-17(9-11-18)20(22)21-12-13-23-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyXKSFMVJHBVYZRD-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide

N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 51065574) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
PubChem CID51065574
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H25NO3/c1-14(2)24-18-10-8-17(9-11-18)20(22)21-12-13-23-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyXKSFMVJHBVYZRD-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.90
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-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100933
3-bromo-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100932
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100982
2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42965917
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 133165885
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide (CID 51065574) is N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide is Cc1cccc(OCCNC(=O)c2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is XKSFMVJHBVYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14(2)24-18-10-8-17(9-11-18)20(22)21-12-13-23-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide?
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 327.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 51065574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).