4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide

C22H26FN3O4 — CID 74505277

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide
SMILESNC(=O)COc1ccc(C(=O)NC2CN(Cc3ccc(F)cc3)CCCC2O)cc1
InChIInChI=1S/C22H26FN3O4/c23-17-7-3-15(4-8-17)12-26-11-1-2-20(27)19(13-26)25-22(29)16-5-9-18(10-6-16)30-14-21(24)28/h3-10,19-20,27H,1-2,11-14H2,(H2,24,28)(H,25,29)
InChIKeyGOUJLYBNRQDOMT-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.45
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide

4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide (PubChem CID 74505277) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide
PubChem CID74505277
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide
SMILESNC(=O)COc1ccc(C(=O)NC2CN(Cc3ccc(F)cc3)CCCC2O)cc1
InChIInChI=1S/C22H26FN3O4/c23-17-7-3-15(4-8-17)12-26-11-1-2-20(27)19(13-26)25-22(29)16-5-9-18(10-6-16)30-14-21(24)28/h3-10,19-20,27H,1-2,11-14H2,(H2,24,28)(H,25,29)
InChIKeyGOUJLYBNRQDOMT-UHFFFAOYSA-N
XLogP1.45
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879
4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide
CID 74505286
(3S,4R)-3-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(4-fluorophenyl)-4-hydroxyazepane-1-carboxamide
CID 162805171
4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(pyridin-2-ylmethyl)azepan-3-yl]benzamide
CID 26741996
N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxyazepan-3-yl]-4-[(4-fluorophenyl)methoxy]benzamide
CID 26742059
4-[[(3R,4R)-4-hydroxy-3-[[4-(2-methoxyethoxy)benzoyl]amino]azepan-1-yl]methyl]benzoic acid
CID 26742263
N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide
CID 74505449
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
N-[(3R,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]-4-phenylmethoxybenzamide
CID 26741961
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
2-[4-[[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]phenoxy]acetamide
CID 95486417

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide (CID 74505277) is 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide is NC(=O)COc1ccc(C(=O)NC2CN(Cc3ccc(F)cc3)CCCC2O)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide?
The InChIKey is GOUJLYBNRQDOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c23-17-7-3-15(4-8-17)12-26-11-1-2-20(27)19(13-26)25-22(29)16-5-9-18(10-6-16)30-14-21(24)28/h3-10,19-20,27H,1-2,11-14H2,(H2,24,28)(H,25,29).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide is sourced from PubChem (CID 74505277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).