N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide

C19H31N3O3 — CID 72691658

IUPACN-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(N)=NOCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-14(23)21-19(5,6)17(20)22-25-13-7-12-24-16-10-8-15(9-11-16)18(2,3)4/h8-11H,7,12-13H2,1-6H3,(H2,20,22)(H,21,23)
InChIKeyFDUMRLWPKVWQPZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.96
Rot. Bonds8

About N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide

N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide (PubChem CID 72691658) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide
PubChem CID72691658
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(N)=NOCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-14(23)21-19(5,6)17(20)22-25-13-7-12-24-16-10-8-15(9-11-16)18(2,3)4/h8-11H,7,12-13H2,1-6H3,(H2,20,22)(H,21,23)
InChIKeyFDUMRLWPKVWQPZ-UHFFFAOYSA-N
XLogP2.96
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-tert-butylphenoxy)butanamide
CID 82041345
2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid
CID 72975664
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate
CID 7147580
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
methyl 4-(4-tert-butylphenoxy)-2-(methylamino)butanoate
CID 63040301
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
octyl 4-[2-(4-tert-butylphenoxy)ethoxy]benzoate
CID 135297906
4-[3-[(4-tert-butylphenyl)methylideneamino]oxypropoxy]benzaldehyde
CID 86597392
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide?
The IUPAC name of N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide (CID 72691658) is N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide is CC(=O)NC(C)(C)C(N)=NOCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide?
The InChIKey is FDUMRLWPKVWQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14(23)21-19(5,6)17(20)22-25-13-7-12-24-16-10-8-15(9-11-16)18(2,3)4/h8-11H,7,12-13H2,1-6H3,(H2,20,22)(H,21,23).
What are the key properties of N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide?
N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 72691658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).