N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide

C16H25N3O2 — CID 108520921

IUPACN-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)13-9-12-17-15(20)16(21)18(3)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,17,20)
InChIKeyVVTHMEHPJDNXNK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.50
Rot. Bonds7

About N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide

N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide (PubChem CID 108520921) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
PubChem CID108520921
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)13-9-12-17-15(20)16(21)18(3)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,17,20)
InChIKeyVVTHMEHPJDNXNK-UHFFFAOYSA-N
XLogP1.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
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-(5-hydroxypentyl)-N'-methyl-N'-phenyloxamide
CID 108520926
N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
CID 108518765
N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
CID 47333935
N-[3-(diethylamino)propyl]-2,2-diphenylpropanamide
CID 57179015
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108524636
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide (CID 108520921) is N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide is CCN(CC)CCCNC(=O)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide?
The InChIKey is VVTHMEHPJDNXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)13-9-12-17-15(20)16(21)18(3)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide?
N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide has a molecular weight of 291.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 108520921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).