N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide

C25H29N3O3 — CID 112799745

IUPACN-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)CCc2ccccn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O3/c1-28(17-15-21-6-4-5-16-26-21)18-24(29)27-25(19-7-11-22(30-2)12-8-19)20-9-13-23(31-3)14-10-20/h4-14,16,25H,15,17-18H2,1-3H3,(H,27,29)
InChIKeyWRYAGHSZIQIESV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.48
Rot. Bonds10

About N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide

N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide (PubChem CID 112799745) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
PubChem CID112799745
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)CCc2ccccn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O3/c1-28(17-15-21-6-4-5-16-26-21)18-24(29)27-25(19-7-11-22(30-2)12-8-19)20-9-13-23(31-3)14-10-20/h4-14,16,25H,15,17-18H2,1-3H3,(H,27,29)
InChIKeyWRYAGHSZIQIESV-UHFFFAOYSA-N
XLogP3.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 17408677
3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911529
N-[bis(4-methoxyphenyl)methyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18197624
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8692831
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883
N-[bis(4-methoxyphenyl)methyl]-2-(2-methoxy-N-methylanilino)acetamide
CID 55839840
N-[bis(4-methoxyphenyl)methyl]-2-(dipropylamino)acetamide
CID 34600383
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18267543
N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17427445
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide (CID 112799745) is N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide is COc1ccc(C(NC(=O)CN(C)CCc2ccccn2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
The InChIKey is WRYAGHSZIQIESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-28(17-15-21-6-4-5-16-26-21)18-24(29)27-25(19-7-11-22(30-2)12-8-19)20-9-13-23(31-3)14-10-20/h4-14,16,25H,15,17-18H2,1-3H3,(H,27,29).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide is sourced from PubChem (CID 112799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).