N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide

C28H31N3O5 — CID 155997760

IUPACN-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)c(OC)c3)c2C)cc1
InChIInChI=1S/C28H31N3O5/c1-19-23(20-7-10-22(34-2)11-8-20)5-4-6-24(19)28(33)29-21-9-12-25(26(17-21)35-3)30-27(32)18-31-13-15-36-16-14-31/h4-12,17H,13-16,18H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyRITYMHXCBVZTMX-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.20
Rot. Bonds8

About N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide

N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide (PubChem CID 155997760) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide
PubChem CID155997760
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC NameN-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)c(OC)c3)c2C)cc1
InChIInChI=1S/C28H31N3O5/c1-19-23(20-7-10-22(34-2)11-8-20)5-4-6-24(19)28(33)29-21-9-12-25(26(17-21)35-3)30-27(32)18-31-13-15-36-16-14-31/h4-12,17H,13-16,18H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyRITYMHXCBVZTMX-UHFFFAOYSA-N
XLogP4.20
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 86294150
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
CID 30721755
N-(2-acetyl-4-methylphenyl)-2-morpholin-4-ylacetamide
CID 135053120

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide?
The IUPAC name of N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide (CID 155997760) is N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide.
What is the SMILES notation for N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide?
The canonical SMILES for N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide is COc1ccc(-c2cccc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)c(OC)c3)c2C)cc1.
What is the InChIKey of N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide?
The InChIKey is RITYMHXCBVZTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-19-23(20-7-10-22(34-2)11-8-20)5-4-6-24(19)28(33)29-21-9-12-25(26(17-21)35-3)30-27(32)18-31-13-15-36-16-14-31/h4-12,17H,13-16,18H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide?
N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide has a molecular weight of 489.57 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 155997760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).