2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane

C27H40FN3O5 — CID 143299317

IUPAC2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane
SMILESCCC.CCCCNC(=O)COCc1ccc(F)cc1.COc1ccccc1NC(=O)CNC(C)=O
InChIInChI=1S/C13H18FNO2.C11H14N2O3.C3H8/c1-2-3-8-15-13(16)10-17-9-11-4-6-12(14)7-5-11;1-8(14)12-7-11(15)13-9-5-3-4-6-10(9)16-2;1-3-2/h4-7H,2-3,8-10H2,1H3,(H,15,16);3-6H,7H2,1-2H3,(H,12,14)(H,13,15);3H2,1-2H3
InChIKeyIAOAMXRITXNEKH-UHFFFAOYSA-N
MW505.63 g/mol
LogP4.44
Rot. Bonds11

About 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane

2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane (PubChem CID 143299317) has the molecular formula C27H40FN3O5 and a molecular weight of 505.63 g/mol. Its IUPAC name is 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane.

Molecular Properties

Compound Name2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane
PubChem CID143299317
Molecular FormulaC27H40FN3O5
Molecular Weight505.63 g/mol
Exact Mass505.30
IUPAC Name2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane
SMILESCCC.CCCCNC(=O)COCc1ccc(F)cc1.COc1ccccc1NC(=O)CNC(C)=O
InChIInChI=1S/C13H18FNO2.C11H14N2O3.C3H8/c1-2-3-8-15-13(16)10-17-9-11-4-6-12(14)7-5-11;1-8(14)12-7-11(15)13-9-5-3-4-6-10(9)16-2;1-3-2/h4-7H,2-3,8-10H2,1H3,(H,15,16);3-6H,7H2,1-2H3,(H,12,14)(H,13,15);3H2,1-2H3
InChIKeyIAOAMXRITXNEKH-UHFFFAOYSA-N
XLogP4.44
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
N-(2-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82944054
2-[(2-methoxyphenyl)carbamoylamino]-N-propylacetamide
CID 27868610
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
CID 3386370
2-(3-aminopropoxy)-N-(2-methoxyphenyl)acetamide
CID 62343841

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane?
The IUPAC name of 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane (CID 143299317) is 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane.
What is the SMILES notation for 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane?
The canonical SMILES for 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane is CCC.CCCCNC(=O)COCc1ccc(F)cc1.COc1ccccc1NC(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane?
The InChIKey is IAOAMXRITXNEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2.C11H14N2O3.C3H8/c1-2-3-8-15-13(16)10-17-9-11-4-6-12(14)7-5-11;1-8(14)12-7-11(15)13-9-5-3-4-6-10(9)16-2;1-3-2/h4-7H,2-3,8-10H2,1H3,(H,15,16);3-6H,7H2,1-2H3,(H,12,14)(H,13,15);3H2,1-2H3.
What are the key properties of 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane?
2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane has a molecular weight of 505.63 g/mol, XLogP of 4.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane is sourced from PubChem (CID 143299317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).