4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide

C24H31N3O3 — CID 46977369

IUPAC4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)cc1N1CCOCC1
InChIInChI=1S/C24H31N3O3/c1-18-3-4-21(17-23(18)27-11-15-30-16-12-27)24(28)25-19(2)20-5-7-22(8-6-20)26-9-13-29-14-10-26/h3-8,17,19H,9-16H2,1-2H3,(H,25,28)
InChIKeyCNPDGQBRAPUODV-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.16
Rot. Bonds5

About 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide

4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide (PubChem CID 46977369) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
PubChem CID46977369
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)cc1N1CCOCC1
InChIInChI=1S/C24H31N3O3/c1-18-3-4-21(17-23(18)27-11-15-30-16-12-27)24(28)25-19(2)20-5-7-22(8-6-20)26-9-13-29-14-10-26/h3-8,17,19H,9-16H2,1-2H3,(H,25,28)
InChIKeyCNPDGQBRAPUODV-UHFFFAOYSA-N
XLogP3.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3-nitrobenzamide
CID 48663876
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide
CID 92625898
2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 48664763
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 133186522
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 25350523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide (CID 46977369) is 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)cc1N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The InChIKey is CNPDGQBRAPUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-3-4-21(17-23(18)27-11-15-30-16-12-27)24(28)25-19(2)20-5-7-22(8-6-20)26-9-13-29-14-10-26/h3-8,17,19H,9-16H2,1-2H3,(H,25,28).
What are the key properties of 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 46977369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).