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

C20H25NO3 — CID 8757338

IUPAC(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-5-14-23-18-12-8-17(9-13-18)21-20(22)16(3)24-19-10-6-15(2)7-11-19/h6-13,16H,4-5,14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyKBQVVOJUNFYUDK-INIZCTEOSA-N
MW327.42 g/mol
LogP4.58
Rot. Bonds8

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

(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 8757338) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
PubChem CID8757338
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-5-14-23-18-12-8-17(9-13-18)21-20(22)16(3)24-19-10-6-15(2)7-11-19/h6-13,16H,4-5,14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyKBQVVOJUNFYUDK-INIZCTEOSA-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-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide (CID 8757338) is (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide is CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is KBQVVOJUNFYUDK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-5-14-23-18-12-8-17(9-13-18)21-20(22)16(3)24-19-10-6-15(2)7-11-19/h6-13,16H,4-5,14H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide?
(2S)-N-(4-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 (2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 8757338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).