N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide

C19H29N3O3 — CID 27532480

IUPACN-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-15(2)21-19(24)18(23)20-10-6-7-11-22-12-13-25-17(14-22)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyCOHGSMBWEGBDBL-KRWDZBQOSA-N
MW347.46 g/mol
LogP1.48
Rot. Bonds7

About N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide

N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide (PubChem CID 27532480) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
PubChem CID27532480
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-15(2)21-19(24)18(23)20-10-6-7-11-22-12-13-25-17(14-22)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyCOHGSMBWEGBDBL-KRWDZBQOSA-N
XLogP1.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.48
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'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557780
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
N'-cyclopentyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16892936
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
N'-cyclohexyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557907
2-methoxy-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866530
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide (CID 27532480) is N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide?
The InChIKey is COHGSMBWEGBDBL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(2)21-19(24)18(23)20-10-6-7-11-22-12-13-25-17(14-22)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide?
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide has a molecular weight of 347.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 27532480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).