N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide

C25H35N3O4 — CID 66525577

IUPACN-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C25H35N3O4/c1-7-31-22-14-18(8-13-21(22)32-16-23(29)28-25(4,5)6)15-26-19-9-11-20(12-10-19)27-24(30)17(2)3/h8-14,17,26H,7,15-16H2,1-6H3,(H,27,30)(H,28,29)
InChIKeyPOTIJWKGCJGUBH-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.59
Rot. Bonds10

About N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide

N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide (PubChem CID 66525577) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
PubChem CID66525577
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC NameN-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C25H35N3O4/c1-7-31-22-14-18(8-13-21(22)32-16-23(29)28-25(4,5)6)15-26-19-9-11-20(12-10-19)27-24(30)17(2)3/h8-14,17,26H,7,15-16H2,1-6H3,(H,27,30)(H,28,29)
InChIKeyPOTIJWKGCJGUBH-UHFFFAOYSA-N
XLogP4.59
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
N-tert-butyl-2-[2-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 4722934
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66543880
ethyl 4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]benzoate
CID 66525561
N-tert-butyl-2-[2-ethoxy-4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17208960
N-tert-butyl-2-[2-ethoxy-4-[(pyridin-4-ylmethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 163328812
N-tert-butyl-2-[4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
CID 4721024
N-tert-butyl-2-[4-[(3-chloro-4-piperidin-1-ylanilino)methyl]-2-ethoxyphenoxy]acetamide
CID 66525660
2-[4-[(4-bromoanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 4308481

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide (CID 66525577) is N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide is CCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The InChIKey is POTIJWKGCJGUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-7-31-22-14-18(8-13-21(22)32-16-23(29)28-25(4,5)6)15-26-19-9-11-20(12-10-19)27-24(30)17(2)3/h8-14,17,26H,7,15-16H2,1-6H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide has a molecular weight of 441.57 g/mol, XLogP of 4.59, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 66525577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).