(2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide

C15H27N3O3 — CID 99762361

IUPAC(2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCCN2CCOCC2)CCCCC(=O)N1
InChIInChI=1S/C15H27N3O3/c1-2-15(6-4-3-5-13(19)17-15)14(20)16-7-8-18-9-11-21-12-10-18/h2-12H2,1H3,(H,16,20)(H,17,19)/t15-/m0/s1
InChIKeyCUFMGJGTUXAULN-HNNXBMFYSA-N
MW297.40 g/mol
LogP0.27
Rot. Bonds5

About (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide

(2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide (PubChem CID 99762361) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
PubChem CID99762361
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCCN2CCOCC2)CCCCC(=O)N1
InChIInChI=1S/C15H27N3O3/c1-2-15(6-4-3-5-13(19)17-15)14(20)16-7-8-18-9-11-21-12-10-18/h2-12H2,1H3,(H,16,20)(H,17,19)/t15-/m0/s1
InChIKeyCUFMGJGTUXAULN-HNNXBMFYSA-N
XLogP0.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(3-methyl-1-{[2-(morpholin-4-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3390135
N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 25163204
1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 71880006
2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
CID 110196345
(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide
CID 155555474
7-(Morpholine-4-carbonyl)azepan-2-one
CID 110196332
Cambridge id 6888872
CID 1538553
2-ethyl-N-(2-morpholinoethyl)-7-oxo-2-azepanecarboxamide
CID 91908925
N-[2-(Morpholin-4-YL)ethyl]-7-oxoazepane-2-carboxamide
CID 110196306
N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexanecarboxamide
CID 45793937
(2S)-N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-7-oxoazepane-2-carboxamide
CID 125534178
1-[4-(Azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone
CID 126809754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide (CID 99762361) is (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide is CC[C@@]1(C(=O)NCCN2CCOCC2)CCCCC(=O)N1.
What is the InChIKey of (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
The InChIKey is CUFMGJGTUXAULN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-15(6-4-3-5-13(19)17-15)14(20)16-7-8-18-9-11-21-12-10-18/h2-12H2,1H3,(H,16,20)(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide?
(2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 99762361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).