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

C14H21N3O2 — CID 2306528

IUPAC2-amino-N-(3-morpholin-4-ylpropyl)benzamide
SMILESNc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H21N3O2/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18)
InChIKeyKSMWTQOZWOIFAK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.72
Rot. Bonds5

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

2-amino-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2306528) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2306528
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-N-(3-morpholin-4-ylpropyl)benzamide
SMILESNc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H21N3O2/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18)
InChIKeyKSMWTQOZWOIFAK-UHFFFAOYSA-N
XLogP0.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-amino-N-(3-morpholin-4-ylpropyl)benzamide (CID 2306528) is 2-amino-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-amino-N-(3-morpholin-4-ylpropyl)benzamide is Nc1ccccc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-amino-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is KSMWTQOZWOIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11,15H2,(H,16,18).
What are the key properties of 2-amino-N-(3-morpholin-4-ylpropyl)benzamide?
2-amino-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2306528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).