N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide

C14H21FN2O2 — CID 115733830

IUPACN-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
SMILESCCOc1ccc(NC(=O)CCNC(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-19-13-6-5-11(9-12(13)15)17-14(18)7-8-16-10(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyDOCGPRSGUWAJFD-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.55
Rot. Bonds7

About N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide

N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 115733830) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
PubChem CID115733830
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
SMILESCCOc1ccc(NC(=O)CCNC(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-19-13-6-5-11(9-12(13)15)17-14(18)7-8-16-10(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyDOCGPRSGUWAJFD-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
CID 64782585
N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
CID 87030944
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
N-(3-cyano-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 55057780

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide (CID 115733830) is N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide is CCOc1ccc(NC(=O)CCNC(C)C)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is DOCGPRSGUWAJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-19-13-6-5-11(9-12(13)15)17-14(18)7-8-16-10(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide?
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 268.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 115733830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).