4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide

C23H29N3O5 — CID 74505286

IUPAC4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide
SMILESCOc1cccc(CN2CCCC(O)C(NC(=O)c3ccc(OCC(N)=O)cc3)C2)c1
InChIInChI=1S/C23H29N3O5/c1-30-19-5-2-4-16(12-19)13-26-11-3-6-21(27)20(14-26)25-23(29)17-7-9-18(10-8-17)31-15-22(24)28/h2,4-5,7-10,12,20-21,27H,3,6,11,13-15H2,1H3,(H2,24,28)(H,25,29)
InChIKeyQYHFRFUCVNHJLK-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.31
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide

4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide (PubChem CID 74505286) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide
PubChem CID74505286
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide
SMILESCOc1cccc(CN2CCCC(O)C(NC(=O)c3ccc(OCC(N)=O)cc3)C2)c1
InChIInChI=1S/C23H29N3O5/c1-30-19-5-2-4-16(12-19)13-26-11-3-6-21(27)20(14-26)25-23(29)17-7-9-18(10-8-17)31-15-22(24)28/h2,4-5,7-10,12,20-21,27H,3,6,11,13-15H2,1H3,(H2,24,28)(H,25,29)
InChIKeyQYHFRFUCVNHJLK-UHFFFAOYSA-N
XLogP1.31
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]-4-phenylmethoxybenzamide
CID 26741961
4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide
CID 74505277
4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(pyridin-2-ylmethyl)azepan-3-yl]benzamide
CID 26741996
4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide
CID 74505449
N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
4-[[(3R,4R)-4-hydroxy-3-[[4-(2-methoxyethoxy)benzoyl]amino]azepan-1-yl]methyl]benzoic acid
CID 26742263
N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
(3S,4R)-3-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(4-fluorophenyl)-4-hydroxyazepane-1-carboxamide
CID 162805171
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 45210664
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[(3R,4R)-1-benzyl-3-[(4-phenylmethoxybenzoyl)amino]azepan-4-yl] 4-(2,6-dimethoxybenzoyl)-3,5-bis(phenylmethoxy)benzoate
CID 10876703

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide (CID 74505286) is 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide is COc1cccc(CN2CCCC(O)C(NC(=O)c3ccc(OCC(N)=O)cc3)C2)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide?
The InChIKey is QYHFRFUCVNHJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-30-19-5-2-4-16(12-19)13-26-11-3-6-21(27)20(14-26)25-23(29)17-7-9-18(10-8-17)31-15-22(24)28/h2,4-5,7-10,12,20-21,27H,3,6,11,13-15H2,1H3,(H2,24,28)(H,25,29).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide is sourced from PubChem (CID 74505286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).