N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide

C17H27N3O3 — CID 119877252

IUPACN-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
SMILESCN(C)CCCOc1ccc(CNC(=O)C2COCCN2)cc1
InChIInChI=1S/C17H27N3O3/c1-20(2)9-3-10-23-15-6-4-14(5-7-15)12-19-17(21)16-13-22-11-8-18-16/h4-7,16,18H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyUHHZOILIDDSZOK-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.62
Rot. Bonds8

About N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide

N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide (PubChem CID 119877252) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
PubChem CID119877252
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
SMILESCN(C)CCCOc1ccc(CNC(=O)C2COCCN2)cc1
InChIInChI=1S/C17H27N3O3/c1-20(2)9-3-10-23-15-6-4-14(5-7-15)12-19-17(21)16-13-22-11-8-18-16/h4-7,16,18H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyUHHZOILIDDSZOK-UHFFFAOYSA-N
XLogP0.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119845730
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119695885
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119800989
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119877262

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide (CID 119877252) is N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide is CN(C)CCCOc1ccc(CNC(=O)C2COCCN2)cc1.
What is the InChIKey of N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is UHHZOILIDDSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-20(2)9-3-10-23-15-6-4-14(5-7-15)12-19-17(21)16-13-22-11-8-18-16/h4-7,16,18H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide?
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119877252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).