N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C16H22N4O4 — CID 7584971

IUPACN'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H22N4O4/c17-14(21)12-2-4-13(5-3-12)19-16(23)15(22)18-6-1-7-20-8-10-24-11-9-20/h2-5H,1,6-11H2,(H2,17,21)(H,18,22)(H,19,23)
InChIKeyQEGVEGYPYIRHME-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.44
Rot. Bonds6

About N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 7584971) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID7584971
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C16H22N4O4/c17-14(21)12-2-4-13(5-3-12)19-16(23)15(22)18-6-1-7-20-8-10-24-11-9-20/h2-5H,1,6-11H2,(H2,17,21)(H,18,22)(H,19,23)
InChIKeyQEGVEGYPYIRHME-UHFFFAOYSA-N
XLogP-0.44
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 39032833
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N,N-diethyl-4-(3-morpholin-4-ylpropylcarbamothioylamino)benzamide
CID 4968567
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981

Frequently Asked Questions

What is the IUPAC name of N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 7584971) is N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is NC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is QEGVEGYPYIRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c17-14(21)12-2-4-13(5-3-12)19-16(23)15(22)18-6-1-7-20-8-10-24-11-9-20/h2-5H,1,6-11H2,(H2,17,21)(H,18,22)(H,19,23).
What are the key properties of N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 334.38 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 7584971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).