N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide

C20H28N4O4 — CID 55746271

IUPACN'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H28N4O4/c1-14-3-4-15(18(25)22-16-5-6-16)13-17(14)23-20(27)19(26)21-7-2-8-24-9-11-28-12-10-24/h3-4,13,16H,2,5-12H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyMEWPPIFTNIOLBD-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.66
Rot. Bonds7

About N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 55746271) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID55746271
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H28N4O4/c1-14-3-4-15(18(25)22-16-5-6-16)13-17(14)23-20(27)19(26)21-7-2-8-24-9-11-28-12-10-24/h3-4,13,16H,2,5-12H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyMEWPPIFTNIOLBD-UHFFFAOYSA-N
XLogP0.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.66
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-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide
CID 86996575
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-cyclopent-2-en-1-yl-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172668501
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619

Frequently Asked Questions

What is the IUPAC name of N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 55746271) is N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is MEWPPIFTNIOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14-3-4-15(18(25)22-16-5-6-16)13-17(14)23-20(27)19(26)21-7-2-8-24-9-11-28-12-10-24/h3-4,13,16H,2,5-12H2,1H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 388.47 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 55746271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).