N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide

C33H36N2O4 — CID 142609037

IUPACN-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide
SMILESCNC(c1ccc(OCC(=O)NC(c2ccc(C)cc2)c2ccc(C)cc2)cc1)c1ccc(OC)cc1OC
InChIInChI=1S/C33H36N2O4/c1-22-6-10-24(11-7-22)32(25-12-8-23(2)9-13-25)35-31(36)21-39-27-16-14-26(15-17-27)33(34-3)29-19-18-28(37-4)20-30(29)38-5/h6-20,32-34H,21H2,1-5H3,(H,35,36)
InChIKeyCBOBXKFZFZWMIM-UHFFFAOYSA-N
MW524.66 g/mol
LogP5.91
Rot. Bonds11

About N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide

N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide (PubChem CID 142609037) has the molecular formula C33H36N2O4 and a molecular weight of 524.66 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide
PubChem CID142609037
Molecular FormulaC33H36N2O4
Molecular Weight524.66 g/mol
Exact Mass524.27
IUPAC NameN-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide
SMILESCNC(c1ccc(OCC(=O)NC(c2ccc(C)cc2)c2ccc(C)cc2)cc1)c1ccc(OC)cc1OC
InChIInChI=1S/C33H36N2O4/c1-22-6-10-24(11-7-22)32(25-12-8-23(2)9-13-25)35-31(36)21-39-27-16-14-26(15-17-27)33(34-3)29-19-18-28(37-4)20-30(29)38-5/h6-20,32-34H,21H2,1-5H3,(H,35,36)
InChIKeyCBOBXKFZFZWMIM-UHFFFAOYSA-N
XLogP5.91
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 18774569
9H-fluoren-9-ylmethyl N-[(2S)-1-[[[4-[2-[bis(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
CID 51341211
N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide
CID 21363515
N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-[[4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]phenoxy]acetamide
CID 59099924
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 53338538
2-[4-[(S)-(2,4-dimethoxyphenyl)-formamidomethyl]phenoxy]acetic acid
CID 87765719
9H-fluoren-9-ylmethyl N-[(2R)-1-[[[4-[2-[bis(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]amino]-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
CID 51341215
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
(3R)-3-[[2-[[(2R)-2-[[2-[4-[(S)-(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetyl]amino]propanoyl]amino]acetyl]amino]-N-methyl-3-(2-nitrophenyl)propanamide
CID 59068444

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide (CID 142609037) is N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide is CNC(c1ccc(OCC(=O)NC(c2ccc(C)cc2)c2ccc(C)cc2)cc1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide?
The InChIKey is CBOBXKFZFZWMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O4/c1-22-6-10-24(11-7-22)32(25-12-8-23(2)9-13-25)35-31(36)21-39-27-16-14-26(15-17-27)33(34-3)29-19-18-28(37-4)20-30(29)38-5/h6-20,32-34H,21H2,1-5H3,(H,35,36).
What are the key properties of N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide?
N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide has a molecular weight of 524.66 g/mol, XLogP of 5.91, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 142609037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).