N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide

C28H32N4O4 — CID 2812675

IUPACN-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C28H32N4O4/c33-27(29-15-6-16-32-17-19-35-20-18-32)25-9-4-5-10-26(25)31-28(34)30-23-11-13-24(14-12-23)36-21-22-7-2-1-3-8-22/h1-5,7-14H,6,15-21H2,(H,29,33)(H2,30,31,34)
InChIKeyOUTSZKAXSRSZIE-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.36
Rot. Bonds10

About N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide

N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide (PubChem CID 2812675) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide
PubChem CID2812675
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C28H32N4O4/c33-27(29-15-6-16-32-17-19-35-20-18-32)25-9-4-5-10-26(25)31-28(34)30-23-11-13-24(14-12-23)36-21-22-7-2-1-3-8-22/h1-5,7-14H,6,15-21H2,(H,29,33)(H2,30,31,34)
InChIKeyOUTSZKAXSRSZIE-UHFFFAOYSA-N
XLogP4.36
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide (CID 2812675) is N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide?
The InChIKey is OUTSZKAXSRSZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c33-27(29-15-6-16-32-17-19-35-20-18-32)25-9-4-5-10-26(25)31-28(34)30-23-11-13-24(14-12-23)36-21-22-7-2-1-3-8-22/h1-5,7-14H,6,15-21H2,(H,29,33)(H2,30,31,34).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide?
N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide has a molecular weight of 488.59 g/mol, XLogP of 4.36, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 2812675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).