N-[4-(diethylamino)butyl]-2-phenoxyacetamide

C16H26N2O2 — CID 110442217

IUPACN-[4-(diethylamino)butyl]-2-phenoxyacetamide
SMILESCCN(CC)CCCCNC(=O)COc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(4-2)13-9-8-12-17-16(19)14-20-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,17,19)
InChIKeyKLQLMPXMWQSLMY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds10

About N-[4-(diethylamino)butyl]-2-phenoxyacetamide

N-[4-(diethylamino)butyl]-2-phenoxyacetamide (PubChem CID 110442217) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-2-phenoxyacetamide
PubChem CID110442217
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-(diethylamino)butyl]-2-phenoxyacetamide
SMILESCCN(CC)CCCCNC(=O)COc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(4-2)13-9-8-12-17-16(19)14-20-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,17,19)
InChIKeyKLQLMPXMWQSLMY-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
2-(2-anilino-2-oxoethyl)sulfanyl-N-[4-(diethylamino)butyl]acetamide
CID 39083520
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
[2-(dodecylamino)-2-oxoethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]azanium
CID 175685519
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(diethylamino)butyl]-2-phenoxyacetamide (CID 110442217) is N-[4-(diethylamino)butyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-2-phenoxyacetamide is CCN(CC)CCCCNC(=O)COc1ccccc1.
What is the InChIKey of N-[4-(diethylamino)butyl]-2-phenoxyacetamide?
The InChIKey is KLQLMPXMWQSLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18(4-2)13-9-8-12-17-16(19)14-20-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(diethylamino)butyl]-2-phenoxyacetamide?
N-[4-(diethylamino)butyl]-2-phenoxyacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-2-phenoxyacetamide is sourced from PubChem (CID 110442217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).