N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide

C17H25N3O3 — CID 109045407

IUPACN-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-19(2)9-3-8-18-16(21)14-4-6-15(7-5-14)17(22)20-10-12-23-13-11-20/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKeyBAPCUNUEBHRJGS-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.84
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide

N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide (PubChem CID 109045407) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
PubChem CID109045407
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O3/c1-19(2)9-3-8-18-16(21)14-4-6-15(7-5-14)17(22)20-10-12-23-13-11-20/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKeyBAPCUNUEBHRJGS-UHFFFAOYSA-N
XLogP0.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109045940
N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103724
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(morpholine-4-carbonyl)benzamide
CID 91838615
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide (CID 109045407) is N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide is CN(C)CCCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is BAPCUNUEBHRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19(2)9-3-8-18-16(21)14-4-6-15(7-5-14)17(22)20-10-12-23-13-11-20/h4-7H,3,8-13H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide?
N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 319.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 109045407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).