N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide

C21H24N2O3 — CID 100510330

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
SMILESCc1ccc2oc(CCC(=O)NCCOc3ccc(C)c(C)c3)nc2c1
InChIInChI=1S/C21H24N2O3/c1-14-4-7-19-18(12-14)23-21(26-19)9-8-20(24)22-10-11-25-17-6-5-15(2)16(3)13-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyRXILAADTLIBZLZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide

N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide (PubChem CID 100510330) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
PubChem CID100510330
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
SMILESCc1ccc2oc(CCC(=O)NCCOc3ccc(C)c(C)c3)nc2c1
InChIInChI=1S/C21H24N2O3/c1-14-4-7-19-18(12-14)23-21(26-19)9-8-20(24)22-10-11-25-17-6-5-15(2)16(3)13-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyRXILAADTLIBZLZ-UHFFFAOYSA-N
XLogP3.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
CID 100510362
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
4-(1,3-benzoxazol-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100511083
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N-(2-bromoethyl)-2-(5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 54122602
3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138049489
4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
CID 39278562
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
N-[2-(4-ethoxyphenoxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8530791
4-(3,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]-4-oxobutanamide
CID 9224216
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55904813

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide (CID 100510330) is N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide is Cc1ccc2oc(CCC(=O)NCCOc3ccc(C)c(C)c3)nc2c1.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
The InChIKey is RXILAADTLIBZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-4-7-19-18(12-14)23-21(26-19)9-8-20(24)22-10-11-25-17-6-5-15(2)16(3)13-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide is sourced from PubChem (CID 100510330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).