4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide

C20H25FN2O2 — CID 120561463

IUPAC4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)CCC(C)N)cc1
InChIInChI=1S/C20H25FN2O2/c1-14(22)3-12-20(24)23-19(13-15-4-8-17(21)9-5-15)16-6-10-18(25-2)11-7-16/h4-11,14,19H,3,12-13,22H2,1-2H3,(H,23,24)
InChIKeyYYDXTSFLYFINDN-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.36
Rot. Bonds8

About 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide

4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide (PubChem CID 120561463) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
PubChem CID120561463
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)CCC(C)N)cc1
InChIInChI=1S/C20H25FN2O2/c1-14(22)3-12-20(24)23-19(13-15-4-8-17(21)9-5-15)16-6-10-18(25-2)11-7-16/h4-11,14,19H,3,12-13,22H2,1-2H3,(H,23,24)
InChIKeyYYDXTSFLYFINDN-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46820318
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97000116
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
3-(4-fluorophenyl)-3-[4-(4-methoxyphenoxy)butanoylamino]propanoic acid
CID 45432084
methyl 3-(4-aminopentanoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 120560793

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide (CID 120561463) is 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide is COc1ccc(C(Cc2ccc(F)cc2)NC(=O)CCC(C)N)cc1.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide?
The InChIKey is YYDXTSFLYFINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(22)3-12-20(24)23-19(13-15-4-8-17(21)9-5-15)16-6-10-18(25-2)11-7-16/h4-11,14,19H,3,12-13,22H2,1-2H3,(H,23,24).
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide?
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide has a molecular weight of 344.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 120561463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).