N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide

C20H25NO3 — CID 8008912

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-15-10-12-17(13-11-15)24-14-6-9-20(22)21-16(2)18-7-4-5-8-19(18)23-3/h4-5,7-8,10-13,16H,6,9,14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyYJTAZHICFLXPIP-MRXNPFEDSA-N
MW327.42 g/mol
LogP4.04
Rot. Bonds8

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide (PubChem CID 8008912) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
PubChem CID8008912
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-15-10-12-17(13-11-15)24-14-6-9-20(22)21-16(2)18-7-4-5-8-19(18)23-3/h4-5,7-8,10-13,16H,6,9,14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyYJTAZHICFLXPIP-MRXNPFEDSA-N
XLogP4.04
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 ≤ 54.04
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

4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 93487568
N-[1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 43909491
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55366862
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
2-(2,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251795
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 27787506
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide (CID 8008912) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide is COc1ccccc1[C@@H](C)NC(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is YJTAZHICFLXPIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-10-12-17(13-11-15)24-14-6-9-20(22)21-16(2)18-7-4-5-8-19(18)23-3/h4-5,7-8,10-13,16H,6,9,14H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 327.42 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 N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 8008912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).