2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide

C21H25FN2O3 — CID 60601122

IUPAC2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
SMILESCc1ccccc1OCCCC(=O)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C21H25FN2O3/c1-15-5-2-3-6-19(15)27-12-4-7-20(25)24-14-17(21(23)26)13-16-8-10-18(22)11-9-16/h2-3,5-6,8-11,17H,4,7,12-14H2,1H3,(H2,23,26)(H,24,25)
InChIKeySELQEBJIVXRHOI-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.75
Rot. Bonds10

About 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide

2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide (PubChem CID 60601122) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
PubChem CID60601122
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
SMILESCc1ccccc1OCCCC(=O)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C21H25FN2O3/c1-15-5-2-3-6-19(15)27-12-4-7-20(25)24-14-17(21(23)26)13-16-8-10-18(22)11-9-16/h2-3,5-6,8-11,17H,4,7,12-14H2,1H3,(H2,23,26)(H,24,25)
InChIKeySELQEBJIVXRHOI-UHFFFAOYSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide
CID 99780561
4-methyl-2-[[4-(2-methylphenoxy)butanoylamino]methyl]pentanoic acid
CID 119253595
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
CID 56819916
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 60587594
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide
CID 95590923
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
CID 95583434

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide (CID 60601122) is 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide is Cc1ccccc1OCCCC(=O)NCC(Cc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide?
The InChIKey is SELQEBJIVXRHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15-5-2-3-6-19(15)27-12-4-7-20(25)24-14-17(21(23)26)13-16-8-10-18(22)11-9-16/h2-3,5-6,8-11,17H,4,7,12-14H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide?
2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide has a molecular weight of 372.44 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide is sourced from PubChem (CID 60601122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).