N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide

C21H26N2O3 — CID 70702781

IUPACN-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-20-10-4-17(5-11-20)3-2-12-22-21(24)18-6-8-19(9-7-18)23-13-15-26-16-14-23/h4-11H,2-3,12-16H2,1H3,(H,22,24)
InChIKeyIIUHLCZCNQVUEX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.89
Rot. Bonds7

About N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide

N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide (PubChem CID 70702781) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
PubChem CID70702781
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-20-10-4-17(5-11-20)3-2-12-22-21(24)18-6-8-19(9-7-18)23-13-15-26-16-14-23/h4-11H,2-3,12-16H2,1H3,(H,22,24)
InChIKeyIIUHLCZCNQVUEX-UHFFFAOYSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049
N'-(2,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892164
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015
N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
CID 53282150

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide (CID 70702781) is N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide is COc1ccc(CCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide?
The InChIKey is IIUHLCZCNQVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-20-10-4-17(5-11-20)3-2-12-22-21(24)18-6-8-19(9-7-18)23-13-15-26-16-14-23/h4-11H,2-3,12-16H2,1H3,(H,22,24).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide?
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 70702781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).