N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide

C27H36N4O5 — CID 74505305

IUPACN-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide
SMILESO=C(NC1CN(C(=O)NCc2ccccc2)CCCC1O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C27H36N4O5/c32-25-7-4-12-31(27(34)28-19-21-5-2-1-3-6-21)20-24(25)29-26(33)22-8-10-23(11-9-22)36-18-15-30-13-16-35-17-14-30/h1-3,5-6,8-11,24-25,32H,4,7,12-20H2,(H,28,34)(H,29,33)
InChIKeyMMYDHXHMIRXTPD-UHFFFAOYSA-N
MW496.61 g/mol
LogP1.86
Rot. Bonds8

About N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide

N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide (PubChem CID 74505305) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide
PubChem CID74505305
Molecular FormulaC27H36N4O5
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC NameN-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide
SMILESO=C(NC1CN(C(=O)NCc2ccccc2)CCCC1O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C27H36N4O5/c32-25-7-4-12-31(27(34)28-19-21-5-2-1-3-6-21)20-24(25)29-26(33)22-8-10-23(11-9-22)36-18-15-30-13-16-35-17-14-30/h1-3,5-6,8-11,24-25,32H,4,7,12-20H2,(H,28,34)(H,29,33)
InChIKeyMMYDHXHMIRXTPD-UHFFFAOYSA-N
XLogP1.86
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide with MolForge

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Related Compounds

N-[4-hydroxy-1-(1-methylpiperidin-4-yl)azepan-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 74505316
N-[(3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxyazepan-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 163125745
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154641
N-[(3R,4R)-4-hydroxy-1-(1-methylpiperidin-4-yl)azepan-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 45360401
N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 11373344
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860
4-[[(3R,4R)-4-hydroxy-3-[[4-(2-methoxyethoxy)benzoyl]amino]azepan-1-yl]methyl]benzoic acid
CID 26742263
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide (CID 74505305) is N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide is O=C(NC1CN(C(=O)NCc2ccccc2)CCCC1O)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide?
The InChIKey is MMYDHXHMIRXTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5/c32-25-7-4-12-31(27(34)28-19-21-5-2-1-3-6-21)20-24(25)29-26(33)22-8-10-23(11-9-22)36-18-15-30-13-16-35-17-14-30/h1-3,5-6,8-11,24-25,32H,4,7,12-20H2,(H,28,34)(H,29,33).
What are the key properties of N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide?
N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide is sourced from PubChem (CID 74505305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).