N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide

C17H26N2O4 — CID 119754157

IUPACN-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide
SMILESCC(C)OCCOCc1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C17H26N2O4/c1-13(2)23-9-8-22-11-14-4-3-5-15(10-14)19-17(20)16-12-21-7-6-18-16/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyKVZJNLJQKHCDDO-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.56
Rot. Bonds8

About N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide

N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide (PubChem CID 119754157) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide
PubChem CID119754157
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide
SMILESCC(C)OCCOCc1cccc(NC(=O)C2COCCN2)c1
InChIInChI=1S/C17H26N2O4/c1-13(2)23-9-8-22-11-14-4-3-5-15(10-14)19-17(20)16-12-21-7-6-18-16/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyKVZJNLJQKHCDDO-UHFFFAOYSA-N
XLogP1.56
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119754136
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
(2S,5R)-5-(aminomethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]oxolane-2-carboxamide
CID 120790226
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269
(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide
CID 124681532
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119899006
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide (CID 119754157) is N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide is CC(C)OCCOCc1cccc(NC(=O)C2COCCN2)c1.
What is the InChIKey of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is KVZJNLJQKHCDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13(2)23-9-8-22-11-14-4-3-5-15(10-14)19-17(20)16-12-21-7-6-18-16/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide?
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119754157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).