N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide

C19H32N2O3 — CID 17208957

IUPACN-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
SMILESCC(C)OCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O3/c1-15(2)23-12-6-11-20-13-16-7-9-17(10-8-16)24-14-18(22)21-19(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3,(H,21,22)
InChIKeyFXNVOMPSUVTBKJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.88
Rot. Bonds10

About N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide

N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide (PubChem CID 17208957) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
PubChem CID17208957
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
SMILESCC(C)OCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O3/c1-15(2)23-12-6-11-20-13-16-7-9-17(10-8-16)24-14-18(22)21-19(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3,(H,21,22)
InChIKeyFXNVOMPSUVTBKJ-UHFFFAOYSA-N
XLogP2.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
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-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
N-tert-butyl-2-[2-ethoxy-4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17208960
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
4-[(3-propan-2-yloxypropylamino)methyl]benzoic acid
CID 17207100
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide (CID 17208957) is N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide is CC(C)OCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide?
The InChIKey is FXNVOMPSUVTBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15(2)23-12-6-11-20-13-16-7-9-17(10-8-16)24-14-18(22)21-19(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3,(H,21,22).
What are the key properties of N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide has a molecular weight of 336.48 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 17208957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).