N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide

C18H30N2O3 — CID 6472728

IUPACN-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
SMILESCCCCNCc1cccc(OC)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-6-7-11-19-12-14-9-8-10-15(22-5)17(14)23-13-16(21)20-18(2,3)4/h8-10,19H,6-7,11-13H2,1-5H3,(H,20,21)
InChIKeyDDNJHDBXTCFZQT-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.88
Rot. Bonds9

About N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide

N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide (PubChem CID 6472728) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
PubChem CID6472728
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
SMILESCCCCNCc1cccc(OC)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-6-7-11-19-12-14-9-8-10-15(22-5)17(14)23-13-16(21)20-18(2,3)4/h8-10,19H,6-7,11-13H2,1-5H3,(H,20,21)
InChIKeyDDNJHDBXTCFZQT-UHFFFAOYSA-N
XLogP2.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[2-methoxy-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053447
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
CID 17057784
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
2-[5-bromo-4-(butylaminomethyl)-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66534557
2-[2-methoxy-6-(methylaminomethyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486522
N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
CID 43472022
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide (CID 6472728) is N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide is CCCCNCc1cccc(OC)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide?
The InChIKey is DDNJHDBXTCFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-7-11-19-12-14-9-8-10-15(22-5)17(14)23-13-16(21)20-18(2,3)4/h8-10,19H,6-7,11-13H2,1-5H3,(H,20,21).
What are the key properties of N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide?
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide has a molecular weight of 322.45 g/mol, XLogP of 2.88, 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-(butylaminomethyl)-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 6472728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).