N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide

C18H23N3O2 — CID 108522195

IUPACN-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-3-21(4-2)13-12-19-17(22)18(23)20-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySMMGCBZUNPIETJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide

N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide (PubChem CID 108522195) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
PubChem CID108522195
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-3-21(4-2)13-12-19-17(22)18(23)20-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySMMGCBZUNPIETJ-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846
N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
CID 108522203
3-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 68920063
2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 31993077
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide (CID 108522195) is N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide is CCN(CC)CCNC(=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide?
The InChIKey is SMMGCBZUNPIETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-21(4-2)13-12-19-17(22)18(23)20-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide?
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide has a molecular weight of 313.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide is sourced from PubChem (CID 108522195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).