(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide

C18H25N3O3 — CID 124616348

IUPAC(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
SMILESO=C1NCCCC[C@H]1NC(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17-16(8-4-5-9-19-17)20-18(23)21-10-11-24-15(13-21)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyPOAHXZXIPKPDEY-JKSUJKDBSA-N
MW331.42 g/mol
LogP1.31
Rot. Bonds3

About (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide

(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide (PubChem CID 124616348) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
PubChem CID124616348
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
SMILESO=C1NCCCC[C@H]1NC(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17-16(8-4-5-9-19-17)20-18(23)21-10-11-24-15(13-21)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyPOAHXZXIPKPDEY-JKSUJKDBSA-N
XLogP1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 94030560
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94083747
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
2-benzyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
CID 127750561
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120641337
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide (CID 124616348) is (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide is O=C1NCCCC[C@H]1NC(=O)N1CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
The InChIKey is POAHXZXIPKPDEY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17-16(8-4-5-9-19-17)20-18(23)21-10-11-24-15(13-21)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,19,22)(H,20,23)/t15-,16+/m0/s1.
What are the key properties of (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 124616348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).