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

C18H28N2O2 — CID 59001075

IUPAC4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-15(2)14-16-4-6-17(7-5-16)18(21)19-8-3-9-20-10-12-22-13-11-20/h4-7,15H,3,8-14H2,1-2H3,(H,19,21)
InChIKeyRMRWCHCWUNDMOA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.34
Rot. Bonds7

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

4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 59001075) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID59001075
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-15(2)14-16-4-6-17(7-5-16)18(21)19-8-3-9-20-10-12-22-13-11-20/h4-7,15H,3,8-14H2,1-2H3,(H,19,21)
InChIKeyRMRWCHCWUNDMOA-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.34
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

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489084
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 59001075) is 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide is CC(C)Cc1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is RMRWCHCWUNDMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)14-16-4-6-17(7-5-16)18(21)19-8-3-9-20-10-12-22-13-11-20/h4-7,15H,3,8-14H2,1-2H3,(H,19,21).
What are the key properties of 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide?
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 59001075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).