N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide

C27H29FN2O4 — CID 55901297

IUPACN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESCCC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C27H29FN2O4/c1-4-24(23-10-5-6-11-25(23)34-18-26(31)30(2)3)29-27(32)20-8-7-9-22(16-20)33-17-19-12-14-21(28)15-13-19/h5-16,24H,4,17-18H2,1-3H3,(H,29,32)
InChIKeyBIUWVJOJYUULPP-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.75
Rot. Bonds10

About N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 55901297) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide
PubChem CID55901297
Molecular FormulaC27H29FN2O4
Molecular Weight464.54 g/mol
Exact Mass464.21
IUPAC NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESCCC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C27H29FN2O4/c1-4-24(23-10-5-6-11-25(23)34-18-26(31)30(2)3)29-27(32)20-8-7-9-22(16-20)33-17-19-12-14-21(28)15-13-19/h5-16,24H,4,17-18H2,1-3H3,(H,29,32)
InChIKeyBIUWVJOJYUULPP-UHFFFAOYSA-N
XLogP4.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-(tetrazol-1-yl)benzamide
CID 55902695
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 46657420
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55901041
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572178
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide
CID 55957713

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide (CID 55901297) is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide is CCC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is BIUWVJOJYUULPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4/c1-4-24(23-10-5-6-11-25(23)34-18-26(31)30(2)3)29-27(32)20-8-7-9-22(16-20)33-17-19-12-14-21(28)15-13-19/h5-16,24H,4,17-18H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide?
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 464.54 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 55901297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).