4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide

C19H31N3O3 — CID 108890763

IUPAC4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide
SMILESCCOc1ccc(OCNC(=O)N2C(C)(C)CC(N)CC2(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-6-24-15-7-9-16(10-8-15)25-13-21-17(23)22-18(2,3)11-14(20)12-19(22,4)5/h7-10,14H,6,11-13,20H2,1-5H3,(H,21,23)
InChIKeyMHBXCXLOURQITR-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.11
Rot. Bonds5

About 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide

4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide (PubChem CID 108890763) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide
PubChem CID108890763
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide
SMILESCCOc1ccc(OCNC(=O)N2C(C)(C)CC(N)CC2(C)C)cc1
InChIInChI=1S/C19H31N3O3/c1-6-24-15-7-9-16(10-8-15)25-13-21-17(23)22-18(2,3)11-14(20)12-19(22,4)5/h7-10,14H,6,11-13,20H2,1-5H3,(H,21,23)
InChIKeyMHBXCXLOURQITR-UHFFFAOYSA-N
XLogP3.11
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108890746
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide
CID 108522545
1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108890764
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
3-amino-1-(4-ethoxyphenyl)cyclopentan-1-ol
CID 80561943
(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 900167
2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114341
1-(2-chloroethyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890702
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 82043241
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide (CID 108890763) is 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide is CCOc1ccc(OCNC(=O)N2C(C)(C)CC(N)CC2(C)C)cc1.
What is the InChIKey of 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide?
The InChIKey is MHBXCXLOURQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-24-15-7-9-16(10-8-15)25-13-21-17(23)22-18(2,3)11-14(20)12-19(22,4)5/h7-10,14H,6,11-13,20H2,1-5H3,(H,21,23).
What are the key properties of 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide?
4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide is sourced from PubChem (CID 108890763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).