3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride

C16H27ClN2O3 — CID 119723077

IUPAC3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCCOCCOCc1cccc(CNC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-3-20-7-8-21-12-15-6-4-5-14(10-15)11-18-16(19)9-13(2)17;/h4-6,10,13H,3,7-9,11-12,17H2,1-2H3,(H,18,19);1H
InChIKeyRFWLNARTCHNTAG-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.02
Rot. Bonds10

About 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride

3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119723077) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
PubChem CID119723077
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCCOCCOCc1cccc(CNC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-3-20-7-8-21-12-15-6-4-5-14(10-15)11-18-16(19)9-13(2)17;/h4-6,10,13H,3,7-9,11-12,17H2,1-2H3,(H,18,19);1H
InChIKeyRFWLNARTCHNTAG-UHFFFAOYSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.02
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

(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
CID 119673570
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
2-(4-tert-butylphenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55690103
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191
4-(3-bromophenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide
CID 55690199

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride (CID 119723077) is 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride is CCOCCOCc1cccc(CNC(=O)CC(C)N)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is RFWLNARTCHNTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-3-20-7-8-21-12-15-6-4-5-14(10-15)11-18-16(19)9-13(2)17;/h4-6,10,13H,3,7-9,11-12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.02, 10 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-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119723077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).