N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C28H30N2O5 — CID 39911497

IUPACN-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C28H30N2O5/c1-21-7-6-10-24(17-21)30(19-22-8-4-3-5-9-22)28(32)23-11-12-25(26(18-23)33-2)35-20-27(31)29-13-15-34-16-14-29/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeySGKVBPSQRSNLJM-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.09
Rot. Bonds8

About N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 39911497) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID39911497
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC NameN-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C28H30N2O5/c1-21-7-6-10-24(17-21)30(19-22-8-4-3-5-9-22)28(32)23-11-12-25(26(18-23)33-2)35-20-27(31)29-13-15-34-16-14-29/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeySGKVBPSQRSNLJM-UHFFFAOYSA-N
XLogP4.09
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 39911497) is N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1cc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is SGKVBPSQRSNLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-21-7-6-10-24(17-21)30(19-22-8-4-3-5-9-22)28(32)23-11-12-25(26(18-23)33-2)35-20-27(31)29-13-15-34-16-14-29/h3-12,17-18H,13-16,19-20H2,1-2H3.
What are the key properties of N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 474.56 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-N-(3-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 39911497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).