N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide

C16H26N2O2 — CID 82940339

IUPACN-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
SMILESCCCOCCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O2/c1-4-10-20-11-6-9-17-13(2)15-7-5-8-16(12-15)18-14(3)19/h5,7-8,12-13,17H,4,6,9-11H2,1-3H3,(H,18,19)
InChIKeyZHWLXYLFSXJGGF-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.11
Rot. Bonds9

About N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide

N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide (PubChem CID 82940339) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
PubChem CID82940339
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
SMILESCCCOCCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O2/c1-4-10-20-11-6-9-17-13(2)15-7-5-8-16(12-15)18-14(3)19/h5,7-8,12-13,17H,4,6,9-11H2,1-3H3,(H,18,19)
InChIKeyZHWLXYLFSXJGGF-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
N-[3-[1-[3-(2-methoxyethoxy)propylamino]ethyl]phenyl]acetamide
CID 43206933
N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide
CID 103178645
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
CID 115900103
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
N-[3-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide (CID 82940339) is N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide is CCCOCCCNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide?
The InChIKey is ZHWLXYLFSXJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-20-11-6-9-17-13(2)15-7-5-8-16(12-15)18-14(3)19/h5,7-8,12-13,17H,4,6,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide?
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 82940339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).