N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide

C19H32N2O3 — CID 70368312

IUPACN-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide
SMILESCCCCCCCCNCCOc1ccc(NC(C)=O)cc1OC
InChIInChI=1S/C19H32N2O3/c1-4-5-6-7-8-9-12-20-13-14-24-18-11-10-17(21-16(2)22)15-19(18)23-3/h10-11,15,20H,4-9,12-14H2,1-3H3,(H,21,22)
InChIKeyQDLICFQJJKORKJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.98
Rot. Bonds13

About N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide

N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide (PubChem CID 70368312) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide
PubChem CID70368312
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide
SMILESCCCCCCCCNCCOc1ccc(NC(C)=O)cc1OC
InChIInChI=1S/C19H32N2O3/c1-4-5-6-7-8-9-12-20-13-14-24-18-11-10-17(21-16(2)22)15-19(18)23-3/h10-11,15,20H,4-9,12-14H2,1-3H3,(H,21,22)
InChIKeyQDLICFQJJKORKJ-UHFFFAOYSA-N
XLogP3.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.98
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-methoxy-4-[2-methyl-2-(octadec-9-enylamino)propoxy]phenyl]acetamide
CID 54406866
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide
CID 78895384
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
CID 2139822
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
1-(3,4-dimethoxyphenyl)-3-octylthiourea
CID 19651030
N-[4-[4-(8-chloro-2,6-dioxo-3-pentyl-7H-purin-1-yl)butoxy]-3-methoxyphenyl]acetamide
CID 59405518
N-(3,4-diethoxyphenyl)acetamide
CID 13120229

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide (CID 70368312) is N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide is CCCCCCCCNCCOc1ccc(NC(C)=O)cc1OC.
What is the InChIKey of N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide?
The InChIKey is QDLICFQJJKORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-4-5-6-7-8-9-12-20-13-14-24-18-11-10-17(21-16(2)22)15-19(18)23-3/h10-11,15,20H,4-9,12-14H2,1-3H3,(H,21,22).
What are the key properties of N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide?
N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 3.98, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 70368312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).