N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide

C23H30N2O3 — CID 52751437

IUPACN-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-3-4-14-28-22-10-8-20(9-11-22)23(26)24-21-7-5-6-19(17-21)18-25-12-15-27-16-13-25/h5-11,17H,2-4,12-16,18H2,1H3,(H,24,26)
InChIKeyWUILWQQRXGSJRI-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.34
Rot. Bonds9

About N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide

N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide (PubChem CID 52751437) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
PubChem CID52751437
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-3-4-14-28-22-10-8-20(9-11-22)23(26)24-21-7-5-6-19(17-21)18-25-12-15-27-16-13-25/h5-11,17H,2-4,12-16,18H2,1H3,(H,24,26)
InChIKeyWUILWQQRXGSJRI-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.34
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

butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[3-(methylsulfonylmethyl)phenyl]-4-pentoxybenzamide
CID 60605378
N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
CID 173342252
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091
N-[3-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 47776622
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide (CID 52751437) is N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide?
The InChIKey is WUILWQQRXGSJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-3-4-14-28-22-10-8-20(9-11-22)23(26)24-21-7-5-6-19(17-21)18-25-12-15-27-16-13-25/h5-11,17H,2-4,12-16,18H2,1H3,(H,24,26).
What are the key properties of N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide?
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide is sourced from PubChem (CID 52751437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).