N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide

C23H30N2O2 — CID 51866471

IUPACN-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-7-19-10-12-21(13-11-19)23(26)24-14-6-15-25-16-17-27-22(18-25)20-8-4-3-5-9-20/h3-5,8-13,22H,2,6-7,14-18H2,1H3,(H,24,26)/t22-/m0/s1
InChIKeyFBZKRZYXQGRYDQ-QFIPXVFZSA-N
MW366.51 g/mol
LogP3.83
Rot. Bonds8

About N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide

N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide (PubChem CID 51866471) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
PubChem CID51866471
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-7-19-10-12-21(13-11-19)23(26)24-14-6-15-25-16-17-27-22(18-25)20-8-4-3-5-9-20/h3-5,8-13,22H,2,6-7,14-18H2,1H3,(H,24,26)/t22-/m0/s1
InChIKeyFBZKRZYXQGRYDQ-QFIPXVFZSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide?
The IUPAC name of N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide (CID 51866471) is N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide.
What is the SMILES notation for N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide?
The canonical SMILES for N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide?
The InChIKey is FBZKRZYXQGRYDQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-7-19-10-12-21(13-11-19)23(26)24-14-6-15-25-16-17-27-22(18-25)20-8-4-3-5-9-20/h3-5,8-13,22H,2,6-7,14-18H2,1H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide?
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide is sourced from PubChem (CID 51866471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).