N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119688848

IUPACN-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-13(2)18(12-14-7-5-4-6-8-14)16(19)15-11-17-9-10-20-15;/h4-8,13,15,17H,3,9-12H2,1-2H3;1H
InChIKeyJHCBWGDXORNNKT-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.22
Rot. Bonds5

About N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride

N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride (PubChem CID 119688848) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
PubChem CID119688848
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-13(2)18(12-14-7-5-4-6-8-14)16(19)15-11-17-9-10-20-15;/h4-8,13,15,17H,3,9-12H2,1-2H3;1H
InChIKeyJHCBWGDXORNNKT-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
CID 119885731
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553
N-benzyl-N-butan-2-yl-4-methylpyrrolidine-3-carboxamide
CID 63714137
2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid
CID 19790783
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide
CID 79389006
(2S)-2-[benzyl-[(2S)-1,4-dioxane-2-carbonyl]amino]propanoic acid
CID 129468489
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119770882
N-[2-[benzyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxamide
CID 119719407
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride (CID 119688848) is N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride is CCC(C)N(Cc1ccccc1)C(=O)C1CNCCO1.Cl.
What is the InChIKey of N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is JHCBWGDXORNNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-13(2)18(12-14-7-5-4-6-8-14)16(19)15-11-17-9-10-20-15;/h4-8,13,15,17H,3,9-12H2,1-2H3;1H.
What are the key properties of N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride?
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119688848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).