N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide

C25H31N3O3 — CID 44578534

IUPACN-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C25H31N3O3/c1-18-3-4-21(25(30)27-22-9-10-22)17-23(18)19-5-7-20(8-6-19)24(29)26-11-2-12-28-13-15-31-16-14-28/h3-8,17,22H,2,9-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyOIQHLFADSSGLKH-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.01
Rot. Bonds8

About N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide

N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide (PubChem CID 44578534) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
PubChem CID44578534
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C25H31N3O3/c1-18-3-4-21(25(30)27-22-9-10-22)17-23(18)19-5-7-20(8-6-19)24(29)26-11-2-12-28-13-15-31-16-14-28/h3-8,17,22H,2,9-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyOIQHLFADSSGLKH-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide (CID 44578534) is N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
The InChIKey is OIQHLFADSSGLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-3-4-21(25(30)27-22-9-10-22)17-23(18)19-5-7-20(8-6-19)24(29)26-11-2-12-28-13-15-31-16-14-28/h3-8,17,22H,2,9-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide?
N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide has a molecular weight of 421.54 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 44578534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).