4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide

C14H21FN2O2 — CID 115155420

IUPAC4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
SMILESCCOc1ccc(CCNC(=O)CCCN)cc1F
InChIInChI=1S/C14H21FN2O2/c1-2-19-13-6-5-11(10-12(13)15)7-9-17-14(18)4-3-8-16/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyNJXJWFDQUNUUJP-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.62
Rot. Bonds8

About 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide

4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide (PubChem CID 115155420) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
PubChem CID115155420
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
SMILESCCOc1ccc(CCNC(=O)CCCN)cc1F
InChIInChI=1S/C14H21FN2O2/c1-2-19-13-6-5-11(10-12(13)15)7-9-17-14(18)4-3-8-16/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyNJXJWFDQUNUUJP-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 115163095
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2-sulfanylacetamide
CID 115167384
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261118
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide (CID 115155420) is 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide is CCOc1ccc(CCNC(=O)CCCN)cc1F.
What is the InChIKey of 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide?
The InChIKey is NJXJWFDQUNUUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-2-19-13-6-5-11(10-12(13)15)7-9-17-14(18)4-3-8-16/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide?
4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide has a molecular weight of 268.33 g/mol, XLogP of 1.62, 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-ethoxy-3-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 115155420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).