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

C17H28N2O2 — CID 63326538

IUPACN-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCc1ccc(OCC(=O)NC(C)(C)C)c(CNC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)18-10-14-9-13(3)7-8-15(14)21-11-16(20)19-17(4,5)6/h7-9,12,18H,10-11H2,1-6H3,(H,19,20)
InChIKeyNBZZXDGAUPUEAL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.79
Rot. Bonds6

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

N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 63326538) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID63326538
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCc1ccc(OCC(=O)NC(C)(C)C)c(CNC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)18-10-14-9-13(3)7-8-15(14)21-11-16(20)19-17(4,5)6/h7-9,12,18H,10-11H2,1-6H3,(H,19,20)
InChIKeyNBZZXDGAUPUEAL-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63323185
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
N-(2-cyanoethyl)-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63326617
N-tert-butyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 17155997
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 66531420
methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 63949714
N-cyclopropyl-N-methyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63323656
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053907
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007
N-[[2-(3-methoxy-3-methylbutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 103032811

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide (CID 63326538) is N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide is Cc1ccc(OCC(=O)NC(C)(C)C)c(CNC(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is NBZZXDGAUPUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)18-10-14-9-13(3)7-8-15(14)21-11-16(20)19-17(4,5)6/h7-9,12,18H,10-11H2,1-6H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 63326538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).