N'-[3-(dimethylamino)phenyl]-N-pentyloxamide

C15H23N3O2 — CID 108521710

IUPACN'-[3-(dimethylamino)phenyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-4-5-6-10-16-14(19)15(20)17-12-8-7-9-13(11-12)18(2)3/h7-9,11H,4-6,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUBKYFZQCLXANFW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds6

About N'-[3-(dimethylamino)phenyl]-N-pentyloxamide

N'-[3-(dimethylamino)phenyl]-N-pentyloxamide (PubChem CID 108521710) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-[3-(dimethylamino)phenyl]-N-pentyloxamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)phenyl]-N-pentyloxamide
PubChem CID108521710
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-[3-(dimethylamino)phenyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-4-5-6-10-16-14(19)15(20)17-12-8-7-9-13(11-12)18(2)3/h7-9,11H,4-6,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUBKYFZQCLXANFW-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
CID 108522203
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N-butyl-N'-phenyloxamide
CID 2290889
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)phenyl]-N-pentyloxamide?
The IUPAC name of N'-[3-(dimethylamino)phenyl]-N-pentyloxamide (CID 108521710) is N'-[3-(dimethylamino)phenyl]-N-pentyloxamide.
What is the SMILES notation for N'-[3-(dimethylamino)phenyl]-N-pentyloxamide?
The canonical SMILES for N'-[3-(dimethylamino)phenyl]-N-pentyloxamide is CCCCCNC(=O)C(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of N'-[3-(dimethylamino)phenyl]-N-pentyloxamide?
The InChIKey is UBKYFZQCLXANFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-6-10-16-14(19)15(20)17-12-8-7-9-13(11-12)18(2)3/h7-9,11H,4-6,10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N'-[3-(dimethylamino)phenyl]-N-pentyloxamide?
N'-[3-(dimethylamino)phenyl]-N-pentyloxamide has a molecular weight of 277.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)phenyl]-N-pentyloxamide is sourced from PubChem (CID 108521710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).