N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119808337

IUPACN-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C1COCCN1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-17(4-2,14-8-6-5-7-9-14)13-19-16(20)15-12-21-11-10-18-15;/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,19,20);1H
InChIKeyBBCDJOMFDAXQBW-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.27
Rot. Bonds6

About N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride

N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119808337) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride
PubChem CID119808337
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C1COCCN1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-17(4-2,14-8-6-5-7-9-14)13-19-16(20)15-12-21-11-10-18-15;/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,19,20);1H
InChIKeyBBCDJOMFDAXQBW-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride 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-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide
CID 119768492
N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119337615
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119787636
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897
N-(2-methyl-2-methylsulfanylpropyl)morpholine-3-carboxamide
CID 115739814
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)morpholine-3-carboxamide;hydrochloride
CID 119801822

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride (CID 119808337) is N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride is CCC(CC)(CNC(=O)C1COCCN1)c1ccccc1.Cl.
What is the InChIKey of N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is BBCDJOMFDAXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-3-17(4-2,14-8-6-5-7-9-14)13-19-16(20)15-12-21-11-10-18-15;/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride?
N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119808337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).