5-amino-2-morpholin-4-yl-N-propylbenzamide

C14H21N3O2 — CID 100651619

IUPAC5-amino-2-morpholin-4-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-2-5-16-14(18)12-10-11(15)3-4-13(12)17-6-8-19-9-7-17/h3-4,10H,2,5-9,15H2,1H3,(H,16,18)
InChIKeyBBVNMPSXMORGDU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds4

About 5-amino-2-morpholin-4-yl-N-propylbenzamide

5-amino-2-morpholin-4-yl-N-propylbenzamide (PubChem CID 100651619) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-2-morpholin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-morpholin-4-yl-N-propylbenzamide
PubChem CID100651619
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-2-morpholin-4-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-2-5-16-14(18)12-10-11(15)3-4-13(12)17-6-8-19-9-7-17/h3-4,10H,2,5-9,15H2,1H3,(H,16,18)
InChIKeyBBVNMPSXMORGDU-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide
CID 100651536
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
2-morpholin-4-yl-5-nitro-N-pentylbenzamide
CID 29196205
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
CID 99981682
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
5-amino-2-(azepan-1-yl)-N-methylbenzamide
CID 100651466

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-morpholin-4-yl-N-propylbenzamide?
The IUPAC name of 5-amino-2-morpholin-4-yl-N-propylbenzamide (CID 100651619) is 5-amino-2-morpholin-4-yl-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-morpholin-4-yl-N-propylbenzamide?
The canonical SMILES for 5-amino-2-morpholin-4-yl-N-propylbenzamide is CCCNC(=O)c1cc(N)ccc1N1CCOCC1.
What is the InChIKey of 5-amino-2-morpholin-4-yl-N-propylbenzamide?
The InChIKey is BBVNMPSXMORGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-5-16-14(18)12-10-11(15)3-4-13(12)17-6-8-19-9-7-17/h3-4,10H,2,5-9,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-2-morpholin-4-yl-N-propylbenzamide?
5-amino-2-morpholin-4-yl-N-propylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-morpholin-4-yl-N-propylbenzamide is sourced from PubChem (CID 100651619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).