N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide

C17H28N2O2 — CID 61485837

IUPACN-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1cccc(C(C)NCCC)c1
InChIInChI=1S/C17H28N2O2/c1-4-6-11-19-17(20)13-21-16-9-7-8-15(12-16)14(3)18-10-5-2/h7-9,12,14,18H,4-6,10-11,13H2,1-3H3,(H,19,20)
InChIKeyWVZMTWHKVXCAMP-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds10

About N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide

N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide (PubChem CID 61485837) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
PubChem CID61485837
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1cccc(C(C)NCCC)c1
InChIInChI=1S/C17H28N2O2/c1-4-6-11-19-17(20)13-21-16-9-7-8-15(12-16)14(3)18-10-5-2/h7-9,12,14,18H,4-6,10-11,13H2,1-3H3,(H,19,20)
InChIKeyWVZMTWHKVXCAMP-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
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-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide
CID 60883645
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide (CID 61485837) is N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide is CCCCNC(=O)COc1cccc(C(C)NCCC)c1.
What is the InChIKey of N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide?
The InChIKey is WVZMTWHKVXCAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-6-11-19-17(20)13-21-16-9-7-8-15(12-16)14(3)18-10-5-2/h7-9,12,14,18H,4-6,10-11,13H2,1-3H3,(H,19,20).
What are the key properties of N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide?
N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 61485837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).