[4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate

C26H37N3O7 — CID 10228960

IUPAC[4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)(C)CC(OC(=O)N1CCOCC1)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C26H37N3O7/c1-26(2,3)16-22(36-25(33)28-12-14-34-15-13-28)23(31)27-20-10-7-11-29(17-21(20)30)24(32)35-18-19-8-5-4-6-9-19/h4-6,8-9,20,22H,7,10-18H2,1-3H3,(H,27,31)
InChIKeyHDBKKUCMWJXJHF-UHFFFAOYSA-N
MW503.60 g/mol
LogP2.75
Rot. Bonds6

About [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate

[4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate (PubChem CID 10228960) has the molecular formula C26H37N3O7 and a molecular weight of 503.60 g/mol. Its IUPAC name is [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate
PubChem CID10228960
Molecular FormulaC26H37N3O7
Molecular Weight503.60 g/mol
Exact Mass503.26
IUPAC Name[4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)(C)CC(OC(=O)N1CCOCC1)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C26H37N3O7/c1-26(2,3)16-22(36-25(33)28-12-14-34-15-13-28)23(31)27-20-10-7-11-29(17-21(20)30)24(32)35-18-19-8-5-4-6-9-19/h4-6,8-9,20,22H,7,10-18H2,1-3H3,(H,27,31)
InChIKeyHDBKKUCMWJXJHF-UHFFFAOYSA-N
XLogP2.75
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(1-cyano-1-phenylmethoxyethyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 68830432
benzyl 3-oxo-4-(pyridine-2-carbonylamino)azepane-1-carboxylate
CID 58076912
[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-4,4,5,5-tetramethyl-1-oxohexan-2-yl] morpholine-4-carboxylate
CID 58582083
benzyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]azepane-1-carboxylate
CID 57463511
1-O-benzyl 4-O-methyl 3-oxopiperidine-1,4-dicarboxylate
CID 133055769
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
[1-[(1-cyano-1-phenylmethoxyethyl)amino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 68829283
1-O-benzyl 4-O-propan-2-yl 3-oxopiperidine-1,4-dicarboxylate
CID 133056046
[1-[(1-cyano-1-phenylmethoxyethyl)amino]-3-(4,8-dimethylspiro[2.5]octan-6-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 68833474
benzyl piperidine-1-carboxylate
CID 158057698
1-O-benzyl 4-O-propan-2-yl 3-oxopiperidine-1,4-dicarboxylate;hydrochloride
CID 133056045

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate (CID 10228960) is [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate is CC(C)(C)CC(OC(=O)N1CCOCC1)C(=O)NC1CCCN(C(=O)OCc2ccccc2)CC1=O.
What is the InChIKey of [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate?
The InChIKey is HDBKKUCMWJXJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O7/c1-26(2,3)16-22(36-25(33)28-12-14-34-15-13-28)23(31)27-20-10-7-11-29(17-21(20)30)24(32)35-18-19-8-5-4-6-9-19/h4-6,8-9,20,22H,7,10-18H2,1-3H3,(H,27,31).
What are the key properties of [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate?
[4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate has a molecular weight of 503.60 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-oxo-1-[(3-oxo-1-phenylmethoxycarbonylazepan-4-yl)amino]pentan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 10228960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).