N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide

C25H27ClN2O3 — CID 66540513

IUPACN-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1ccccc1C
InChIInChI=1S/C25H27ClN2O3/c1-4-30-24-13-20(15-27-21-9-11-22(12-10-21)28-18(3)29)23(26)14-25(24)31-16-19-8-6-5-7-17(19)2/h5-14,27H,4,15-16H2,1-3H3,(H,28,29)
InChIKeyCOUIGAVFYOFGDO-UHFFFAOYSA-N
MW438.96 g/mol
LogP6.20
Rot. Bonds9

About N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide

N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide (PubChem CID 66540513) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
PubChem CID66540513
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC NameN-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1ccccc1C
InChIInChI=1S/C25H27ClN2O3/c1-4-30-24-13-20(15-27-21-9-11-22(12-10-21)28-18(3)29)23(26)14-25(24)31-16-19-8-6-5-7-17(19)2/h5-14,27H,4,15-16H2,1-3H3,(H,28,29)
InChIKeyCOUIGAVFYOFGDO-UHFFFAOYSA-N
XLogP6.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 66540779
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
N-[3-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]-3-methylbutanamide
CID 66540749
N-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-4-morpholin-4-ylaniline
CID 66540912
N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66540459
4-chloro-N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 66542531
2-chloro-4-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]benzoic acid
CID 66540453
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
ethyl 4-[(2-chloro-4,5-diethoxyphenyl)methylamino]benzoate
CID 66542035

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide (CID 66540513) is N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide is CCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1ccccc1C.
What is the InChIKey of N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide?
The InChIKey is COUIGAVFYOFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-4-30-24-13-20(15-27-21-9-11-22(12-10-21)28-18(3)29)23(26)14-25(24)31-16-19-8-6-5-7-17(19)2/h5-14,27H,4,15-16H2,1-3H3,(H,28,29).
What are the key properties of N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide?
N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide has a molecular weight of 438.96 g/mol, XLogP of 6.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 66540513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).