N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide

C19H27N3O3 — CID 27557681

IUPACN'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
SMILESO=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CC1
InChIInChI=1S/C19H27N3O3/c23-18(19(24)21-16-8-9-16)20-10-4-5-11-22-12-13-25-17(14-22)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,23)(H,21,24)/t17-/m1/s1
InChIKeyAHLLJQCHWVHZCU-QGZVFWFLSA-N
MW345.44 g/mol
LogP1.23
Rot. Bonds7

About N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide

N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide (PubChem CID 27557681) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
PubChem CID27557681
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
SMILESO=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CC1
InChIInChI=1S/C19H27N3O3/c23-18(19(24)21-16-8-9-16)20-10-4-5-11-22-12-13-25-17(14-22)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,23)(H,21,24)/t17-/m1/s1
InChIKeyAHLLJQCHWVHZCU-QGZVFWFLSA-N
XLogP1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16892936
N'-cyclohexyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557907
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557780
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide (CID 27557681) is N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide is O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide?
The InChIKey is AHLLJQCHWVHZCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(19(24)21-16-8-9-16)20-10-4-5-11-22-12-13-25-17(14-22)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,23)(H,21,24)/t17-/m1/s1.
What are the key properties of N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide?
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide has a molecular weight of 345.44 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide is sourced from PubChem (CID 27557681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).