N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride

C17H27ClN2O2 — CID 52984360

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(c1ccc(C)cc1)N1CCOCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-4-17(20)18-13-16(19-9-11-21-12-10-19)15-7-5-14(2)6-8-15;/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,20);1H
InChIKeyRCBJJGUJLCSONK-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride (PubChem CID 52984360) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
PubChem CID52984360
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(c1ccc(C)cc1)N1CCOCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-4-17(20)18-13-16(19-9-11-21-12-10-19)15-7-5-14(2)6-8-15;/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,20);1H
InChIKeyRCBJJGUJLCSONK-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
CID 120564908
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide
CID 7496635
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 22694279
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride (CID 52984360) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride is CCCC(=O)NCC(c1ccc(C)cc1)N1CCOCC1.Cl.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride?
The InChIKey is RCBJJGUJLCSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-3-4-17(20)18-13-16(19-9-11-21-12-10-19)15-7-5-14(2)6-8-15;/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride is sourced from PubChem (CID 52984360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).