2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide

C21H27NO3 — CID 132652224

IUPAC2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C21H27NO3/c1-5-18(25-20-13-9-7-11-16(20)3)21(23)22-17(4)14-24-19-12-8-6-10-15(19)2/h6-13,17-18H,5,14H2,1-4H3,(H,22,23)
InChIKeyHTJZPKLLHAQZLZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.04
Rot. Bonds8

About 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide

2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide (PubChem CID 132652224) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
PubChem CID132652224
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C21H27NO3/c1-5-18(25-20-13-9-7-11-16(20)3)21(23)22-17(4)14-24-19-12-8-6-10-15(19)2/h6-13,17-18H,5,14H2,1-4H3,(H,22,23)
InChIKeyHTJZPKLLHAQZLZ-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651227
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-phenoxypropanamide
CID 94623488
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2R)-2-(4-methoxyphenoxy)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95161887
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide (CID 132652224) is 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide is CCC(Oc1ccccc1C)C(=O)NC(C)COc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
The InChIKey is HTJZPKLLHAQZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-18(25-20-13-9-7-11-16(20)3)21(23)22-17(4)14-24-19-12-8-6-10-15(19)2/h6-13,17-18H,5,14H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide is sourced from PubChem (CID 132652224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).