N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide

C17H26N2O2 — CID 143519809

IUPACN-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-14(2)15-6-3-4-7-16(15)17(20)18-8-5-9-19-10-12-21-13-11-19/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,18,20)
InChIKeyVIJSEFCXGMWAAX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide

N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide (PubChem CID 143519809) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
PubChem CID143519809
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-14(2)15-6-3-4-7-16(15)17(20)18-8-5-9-19-10-12-21-13-11-19/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,18,20)
InChIKeyVIJSEFCXGMWAAX-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
2-methyl-N-[2-(2-morpholin-4-ylethoxy)ethyl]benzamide
CID 166586197
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide (CID 143519809) is N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide is CC(C)c1ccccc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide?
The InChIKey is VIJSEFCXGMWAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)15-6-3-4-7-16(15)17(20)18-8-5-9-19-10-12-21-13-11-19/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,18,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide?
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide is sourced from PubChem (CID 143519809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).