N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide

C18H31N3O2 — CID 17215562

IUPACN-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
SMILESCCNCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H31N3O2/c1-5-19-11-6-12-20-13-15-7-9-16(10-8-15)23-14-17(22)21-18(2,3)4/h7-10,19-20H,5-6,11-14H2,1-4H3,(H,21,22)
InChIKeyOWTMHCFXLMDFTD-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.07
Rot. Bonds10

About N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide

N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide (PubChem CID 17215562) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
PubChem CID17215562
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
SMILESCCNCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H31N3O2/c1-5-19-11-6-12-20-13-15-7-9-16(10-8-15)23-14-17(22)21-18(2,3)4/h7-10,19-20H,5-6,11-14H2,1-4H3,(H,21,22)
InChIKeyOWTMHCFXLMDFTD-UHFFFAOYSA-N
XLogP2.07
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.07
H-Bond Donors ≤ 53
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-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
CID 17208957
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
N-tert-butyl-2-[2-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4721018
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
2-[4-[[3-(methylamino)propylamino]methyl]phenoxy]acetic acid
CID 102535651
N-tert-butyl-2-[2-ethoxy-4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17214182
N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide (CID 17215562) is N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide is CCNCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide?
The InChIKey is OWTMHCFXLMDFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-19-11-6-12-20-13-15-7-9-16(10-8-15)23-14-17(22)21-18(2,3)4/h7-10,19-20H,5-6,11-14H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide has a molecular weight of 321.46 g/mol, XLogP of 2.07, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 17215562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).