N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide

C21H26N4O3 — CID 2812680

IUPACN-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C21H26N4O3/c26-20(22-11-6-12-25-13-15-28-16-14-25)18-9-4-5-10-19(18)24-21(27)23-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,26)(H2,23,24,27)
InChIKeyIHZHFHGHZRHZBT-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.78
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide

N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide (PubChem CID 2812680) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide
PubChem CID2812680
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C21H26N4O3/c26-20(22-11-6-12-25-13-15-28-16-14-25)18-9-4-5-10-19(18)24-21(27)23-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,26)(H2,23,24,27)
InChIKeyIHZHFHGHZRHZBT-UHFFFAOYSA-N
XLogP2.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
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-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide (CID 2812680) is N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide?
The InChIKey is IHZHFHGHZRHZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(22-11-6-12-25-13-15-28-16-14-25)18-9-4-5-10-19(18)24-21(27)23-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,26)(H2,23,24,27).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide?
N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 2812680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).