N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide

C24H32N2O2 — CID 16892629

IUPACN-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H32N2O2/c1-2-8-20-11-13-22(14-12-20)24(27)25-15-6-7-16-26-17-18-28-23(19-26)21-9-4-3-5-10-21/h3-5,9-14,23H,2,6-8,15-19H2,1H3,(H,25,27)
InChIKeyMFJOUYLCZCQHOX-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.22
Rot. Bonds9

About N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide

N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide (PubChem CID 16892629) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
PubChem CID16892629
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H32N2O2/c1-2-8-20-11-13-22(14-12-20)24(27)25-15-6-7-16-26-17-18-28-23(19-26)21-9-4-3-5-10-21/h3-5,9-14,23H,2,6-8,15-19H2,1H3,(H,25,27)
InChIKeyMFJOUYLCZCQHOX-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.22
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-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide?
The IUPAC name of N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide (CID 16892629) is N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide.
What is the SMILES notation for N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide?
The canonical SMILES for N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCCCCN2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide?
The InChIKey is MFJOUYLCZCQHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-8-20-11-13-22(14-12-20)24(27)25-15-6-7-16-26-17-18-28-23(19-26)21-9-4-3-5-10-21/h3-5,9-14,23H,2,6-8,15-19H2,1H3,(H,25,27).
What are the key properties of N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide?
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide has a molecular weight of 380.53 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide is sourced from PubChem (CID 16892629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).