N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride

C17H26ClN3O3 — CID 119719720

IUPACN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)C2COCCN2)c1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-12(2)20-16(21)14-6-4-5-13(9-14)10-19-17(22)15-11-23-8-7-18-15;/h4-6,9,12,15,18H,3,7-8,10-11H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyJEFHLFZNMGZAHB-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.24
Rot. Bonds6

About N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119719720) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119719720
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)C2COCCN2)c1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-12(2)20-16(21)14-6-4-5-13(9-14)10-19-17(22)15-11-23-8-7-18-15;/h4-6,9,12,15,18H,3,7-8,10-11H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyJEFHLFZNMGZAHB-UHFFFAOYSA-N
XLogP1.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119287317
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119750954
N-[(2R)-butan-2-yl]-3-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]benzamide
CID 94181986
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119717013
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119744682
(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 124695970
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719774

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119719720) is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is CCC(C)NC(=O)c1cccc(CNC(=O)C2COCCN2)c1.Cl.
What is the InChIKey of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is JEFHLFZNMGZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-3-12(2)20-16(21)14-6-4-5-13(9-14)10-19-17(22)15-11-23-8-7-18-15;/h4-6,9,12,15,18H,3,7-8,10-11H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119719720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).