N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide

C16H26N2O3 — CID 103178645

IUPACN-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide
SMILESCOCCCOCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O3/c1-13(17-8-11-21-10-5-9-20-3)15-6-4-7-16(12-15)18-14(2)19/h4,6-7,12-13,17H,5,8-11H2,1-3H3,(H,18,19)
InChIKeyJXHGRYYXJSROBL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.35
Rot. Bonds10

About N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide

N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide (PubChem CID 103178645) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide
PubChem CID103178645
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide
SMILESCOCCCOCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O3/c1-13(17-8-11-21-10-5-9-20-3)15-6-4-7-16(12-15)18-14(2)19/h4,6-7,12-13,17H,5,8-11H2,1-3H3,(H,18,19)
InChIKeyJXHGRYYXJSROBL-UHFFFAOYSA-N
XLogP2.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.35
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-[3-[1-[3-(2-methoxyethoxy)propylamino]ethyl]phenyl]acetamide
CID 43206933
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
N-[3-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
CID 103903900
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide (CID 103178645) is N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide is COCCCOCCNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide?
The InChIKey is JXHGRYYXJSROBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(17-8-11-21-10-5-9-20-3)15-6-4-7-16(12-15)18-14(2)19/h4,6-7,12-13,17H,5,8-11H2,1-3H3,(H,18,19).
What are the key properties of N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide?
N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 103178645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).