N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide

C19H32N2O3 — CID 4717022

IUPACN-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCC(C)C)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C19H32N2O3/c1-7-23-17-10-15(12-20-11-14(2)3)8-9-16(17)24-13-18(22)21-19(4,5)6/h8-10,14,20H,7,11-13H2,1-6H3,(H,21,22)
InChIKeyVKUMHLZRKDGXAU-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.12
Rot. Bonds9

About N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide

N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide (PubChem CID 4717022) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
PubChem CID4717022
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCC(C)C)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C19H32N2O3/c1-7-23-17-10-15(12-20-11-14(2)3)8-9-16(17)24-13-18(22)21-19(4,5)6/h8-10,14,20H,7,11-13H2,1-6H3,(H,21,22)
InChIKeyVKUMHLZRKDGXAU-UHFFFAOYSA-N
XLogP3.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
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-[2-ethoxy-4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17214182
N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66525577
N-tert-butyl-2-[2-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 4722934
N-tert-butyl-2-[4-[[3-(diethylamino)propylamino]methyl]-2-ethoxyphenoxy]acetamide;dihydrochloride
CID 17215098
N-tert-butyl-2-[2-ethoxy-4-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17331695
N-[[4-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057064
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056898
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide (CID 4717022) is N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide is CCOc1cc(CNCC(C)C)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The InChIKey is VKUMHLZRKDGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-7-23-17-10-15(12-20-11-14(2)3)8-9-16(17)24-13-18(22)21-19(4,5)6/h8-10,14,20H,7,11-13H2,1-6H3,(H,21,22).
What are the key properties of N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide has a molecular weight of 336.48 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 4717022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).