N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

C22H31N3O2 — CID 26509899

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCCN(c1ccc(NC(=O)CN(C)Cc2cccc(OC)c2)cc1)C(C)C
InChIInChI=1S/C22H31N3O2/c1-6-25(17(2)3)20-12-10-19(11-13-20)23-22(26)16-24(4)15-18-8-7-9-21(14-18)27-5/h7-14,17H,6,15-16H2,1-5H3,(H,23,26)
InChIKeyHDWZRGHRKBVSDJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.00
Rot. Bonds9

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 26509899) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID26509899
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCCN(c1ccc(NC(=O)CN(C)Cc2cccc(OC)c2)cc1)C(C)C
InChIInChI=1S/C22H31N3O2/c1-6-25(17(2)3)20-12-10-19(11-13-20)23-22(26)16-24(4)15-18-8-7-9-21(14-18)27-5/h7-14,17H,6,15-16H2,1-5H3,(H,23,26)
InChIKeyHDWZRGHRKBVSDJ-UHFFFAOYSA-N
XLogP4.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8780580
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (CID 26509899) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is CCN(c1ccc(NC(=O)CN(C)Cc2cccc(OC)c2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is HDWZRGHRKBVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-6-25(17(2)3)20-12-10-19(11-13-20)23-22(26)16-24(4)15-18-8-7-9-21(14-18)27-5/h7-14,17H,6,15-16H2,1-5H3,(H,23,26).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 369.51 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 26509899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).