N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide

C25H33FN2O4 — CID 55773772

IUPACN-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C25H33FN2O4/c1-5-6-7-14-28(16-19-8-11-21(26)12-9-19)25(30)20-10-13-22(23(15-20)31-4)32-17-24(29)27-18(2)3/h8-13,15,18H,5-7,14,16-17H2,1-4H3,(H,27,29)
InChIKeySPAFNAGYASGCII-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.57
Rot. Bonds12

About N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide

N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide (PubChem CID 55773772) has the molecular formula C25H33FN2O4 and a molecular weight of 444.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide
PubChem CID55773772
Molecular FormulaC25H33FN2O4
Molecular Weight444.55 g/mol
Exact Mass444.24
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C25H33FN2O4/c1-5-6-7-14-28(16-19-8-11-21(26)12-9-19)25(30)20-10-13-22(23(15-20)31-4)32-17-24(29)27-18(2)3/h8-13,15,18H,5-7,14,16-17H2,1-4H3,(H,27,29)
InChIKeySPAFNAGYASGCII-UHFFFAOYSA-N
XLogP4.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23761441
(2-ethoxyphenyl) 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
CID 55771663
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 55773477
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
N-ethyl-N-(4-fluorophenyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 86827874
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide (CID 55773772) is N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide is CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide?
The InChIKey is SPAFNAGYASGCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O4/c1-5-6-7-14-28(16-19-8-11-21(26)12-9-19)25(30)20-10-13-22(23(15-20)31-4)32-17-24(29)27-18(2)3/h8-13,15,18H,5-7,14,16-17H2,1-4H3,(H,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide?
N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide has a molecular weight of 444.55 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide is sourced from PubChem (CID 55773772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).