3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide

C16H26N2O3 — CID 119754191

IUPAC3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(COCCOC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)21-8-7-20-11-14-5-4-6-15(10-14)18-16(19)9-13(3)17/h4-6,10,12-13H,7-9,11,17H2,1-3H3,(H,18,19)
InChIKeyJFJAEGWMXYDNOI-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.30
Rot. Bonds9

About 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide

3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide (PubChem CID 119754191) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
PubChem CID119754191
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(COCCOC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)21-8-7-20-11-14-5-4-6-15(10-14)18-16(19)9-13(3)17/h4-6,10,12-13H,7-9,11,17H2,1-3H3,(H,18,19)
InChIKeyJFJAEGWMXYDNOI-UHFFFAOYSA-N
XLogP2.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.30
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-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
CID 86861957
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179
1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444
2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 120590524
3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 86857686
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide (CID 119754191) is 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide is CC(N)CC(=O)Nc1cccc(COCCOC(C)C)c1.
What is the InChIKey of 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide?
The InChIKey is JFJAEGWMXYDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)21-8-7-20-11-14-5-4-6-15(10-14)18-16(19)9-13(3)17/h4-6,10,12-13H,7-9,11,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide?
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide has a molecular weight of 294.40 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide is sourced from PubChem (CID 119754191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).