N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide

C21H27ClN2O3 — CID 66525764

IUPACN-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C21H27ClN2O3/c1-14-6-8-16(11-17(14)22)23-12-15-7-9-18(19(10-15)26-5)27-13-20(25)24-21(2,3)4/h6-11,23H,12-13H2,1-5H3,(H,24,25)
InChIKeySIALAKYNBKNODG-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.56
Rot. Bonds7

About N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide

N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 66525764) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
PubChem CID66525764
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C21H27ClN2O3/c1-14-6-8-16(11-17(14)22)23-12-15-7-9-18(19(10-15)26-5)27-13-20(25)24-21(2,3)4/h6-11,23H,12-13H2,1-5H3,(H,24,25)
InChIKeySIALAKYNBKNODG-UHFFFAOYSA-N
XLogP4.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-chlorobenzoic acid
CID 17058539
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
ethyl 4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]benzoate
CID 66525561
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17208545
N-tert-butyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 17155997
3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 17058704
N-tert-butyl-2-[4-[(3-chloro-4-piperidin-1-ylanilino)methyl]-2-ethoxyphenoxy]acetamide
CID 66525660
N-tert-butyl-2-[2-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4721018

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide (CID 66525764) is N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide is COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is SIALAKYNBKNODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-14-6-8-16(11-17(14)22)23-12-15-7-9-18(19(10-15)26-5)27-13-20(25)24-21(2,3)4/h6-11,23H,12-13H2,1-5H3,(H,24,25).
What are the key properties of N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide?
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 390.91 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 66525764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).