N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide

C20H25NO3 — CID 17087052

IUPACN-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-4-5-14-23-19-9-7-6-8-18(19)21-20(22)16(3)24-17-12-10-15(2)11-13-17/h6-13,16H,4-5,14H2,1-3H3,(H,21,22)
InChIKeyYAVCMPVTRVVYFH-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.58
Rot. Bonds8

About N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide

N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 17087052) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
PubChem CID17087052
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-4-5-14-23-19-9-7-6-8-18(19)21-20(22)16(3)24-17-12-10-15(2)11-13-17/h6-13,16H,4-5,14H2,1-3H3,(H,21,22)
InChIKeyYAVCMPVTRVVYFH-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.58
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-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
CID 17131474
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785
N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
CID 46437000

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide (CID 17087052) is N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide is CCCCOc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is YAVCMPVTRVVYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-5-14-23-19-9-7-6-8-18(19)21-20(22)16(3)24-17-12-10-15(2)11-13-17/h6-13,16H,4-5,14H2,1-3H3,(H,21,22).
What are the key properties of N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 327.42 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 17087052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).