N-(4-carbamoylphenyl)-N',N'-dipropyloxamide

C15H21N3O3 — CID 108528696

IUPACN-(4-carbamoylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-3-9-18(10-4-2)15(21)14(20)17-12-7-5-11(6-8-12)13(16)19/h5-8H,3-4,9-10H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyQBCKGOZLRMROPT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.37
Rot. Bonds6

About N-(4-carbamoylphenyl)-N',N'-dipropyloxamide

N-(4-carbamoylphenyl)-N',N'-dipropyloxamide (PubChem CID 108528696) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N',N'-dipropyloxamide
PubChem CID108528696
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-carbamoylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-3-9-18(10-4-2)15(21)14(20)17-12-7-5-11(6-8-12)13(16)19/h5-8H,3-4,9-10H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyQBCKGOZLRMROPT-UHFFFAOYSA-N
XLogP1.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.37
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

ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108500129
N-(4-iodophenyl)-N',N'-dipropyloxamide
CID 47335998
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979
N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
CID 108519413
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
CID 108986506
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N',N'-dipropyloxamide (CID 108528696) is N-(4-carbamoylphenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N',N'-dipropyloxamide?
The InChIKey is QBCKGOZLRMROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-9-18(10-4-2)15(21)14(20)17-12-7-5-11(6-8-12)13(16)19/h5-8H,3-4,9-10H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of N-(4-carbamoylphenyl)-N',N'-dipropyloxamide?
N-(4-carbamoylphenyl)-N',N'-dipropyloxamide has a molecular weight of 291.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 108528696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).