N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide

C20H33N3O2 — CID 126478016

IUPACN-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCCCN(CCC)CCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-5-13-23(14-6-2)15-7-12-21-19(24)20(25)22-18-10-8-17(9-11-18)16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyHNQMUPIZOUQVMA-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.38
Rot. Bonds10

About N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide

N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 126478016) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID126478016
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCCCN(CCC)CCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-5-13-23(14-6-2)15-7-12-21-19(24)20(25)22-18-10-8-17(9-11-18)16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyHNQMUPIZOUQVMA-UHFFFAOYSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.38
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-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284
(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323883
N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
CID 108514450
N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 2300942
4-[3-(dipropylamino)propylamino]-3-nitro-N-(4-propan-2-ylphenyl)benzamide
CID 44522366
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
1-decyl-3-(4-propan-2-ylphenyl)thiourea
CID 19651185
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
N-butyl-N'-phenyloxamide
CID 2290889
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 126478016) is N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide is CCCN(CCC)CCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is HNQMUPIZOUQVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-13-23(14-6-2)15-7-12-21-19(24)20(25)22-18-10-8-17(9-11-18)16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 347.50 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 126478016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).