N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide

C18H29ClN2O3 — CID 66531420

IUPACN-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNC(C)C)c(Cl)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C18H29ClN2O3/c1-7-23-15-8-13(10-20-12(2)3)14(19)9-16(15)24-11-17(22)21-18(4,5)6/h8-9,12,20H,7,10-11H2,1-6H3,(H,21,22)
InChIKeyZOZMHWVSQWZYEO-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.53
Rot. Bonds8

About N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide

N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 66531420) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID66531420
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNC(C)C)c(Cl)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C18H29ClN2O3/c1-7-23-15-8-13(10-20-12(2)3)14(19)9-16(15)24-11-17(22)21-18(4,5)6/h8-9,12,20H,7,10-11H2,1-6H3,(H,21,22)
InChIKeyZOZMHWVSQWZYEO-UHFFFAOYSA-N
XLogP3.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[2-(tert-butylamino)-2-oxoethoxy]-2-chloro-5-ethoxyphenyl]methylamino]acetic acid
CID 66531363
N-tert-butyl-2-[4-(butylaminomethyl)-5-chloro-2-ethoxyphenoxy]acetamide
CID 66531408
N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
CID 66537655
2-[4-[(2-adamantylamino)methyl]-5-chloro-2-ethoxyphenoxy]-N-tert-butylacetamide
CID 66531389
N-tert-butyl-2-[4-[(tert-butylamino)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 66529720
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-2-chloro-5-ethoxyphenyl]methylamino]-2-chlorobenzoic acid
CID 66540843
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 66531427
N-tert-butyl-2-[5-chloro-2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 66529803
N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63326538
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]acetamide
CID 66531361
2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 19615588
N-tert-butyl-2-[5-chloro-2-methoxy-4-[(octylamino)methyl]phenoxy]acetamide
CID 66529702

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide (CID 66531420) is N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide is CCOc1cc(CNC(C)C)c(Cl)cc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is ZOZMHWVSQWZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O3/c1-7-23-15-8-13(10-20-12(2)3)14(19)9-16(15)24-11-17(22)21-18(4,5)6/h8-9,12,20H,7,10-11H2,1-6H3,(H,21,22).
What are the key properties of N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 356.89 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 66531420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).