N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride

C13H26ClN3O3 — CID 119788831

IUPACN-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCOC(CNC(C)=O)C1.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-4-5-13(3,14)12(18)16-6-7-19-11(9-16)8-15-10(2)17;/h11H,4-9,14H2,1-3H3,(H,15,17);1H
InChIKeyHWOSALRPPQSBMU-UHFFFAOYSA-N
MW307.82 g/mol
LogP0.29
Rot. Bonds5

About N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride

N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride (PubChem CID 119788831) has the molecular formula C13H26ClN3O3 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride
PubChem CID119788831
Molecular FormulaC13H26ClN3O3
Molecular Weight307.82 g/mol
Exact Mass307.17
IUPAC NameN-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCOC(CNC(C)=O)C1.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-4-5-13(3,14)12(18)16-6-7-19-11(9-16)8-15-10(2)17;/h11H,4-9,14H2,1-3H3,(H,15,17);1H
InChIKeyHWOSALRPPQSBMU-UHFFFAOYSA-N
XLogP0.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 60848917
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119751448
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
4-[3-[2-(acetamidomethyl)morpholin-4-yl]-3-oxoprop-1-enyl]benzoic acid
CID 126781394
N-[[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]morpholin-2-yl]methyl]acetamide
CID 120933214
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride (CID 119788831) is N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride is CCCC(C)(N)C(=O)N1CCOC(CNC(C)=O)C1.Cl.
What is the InChIKey of N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is HWOSALRPPQSBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3.ClH/c1-4-5-13(3,14)12(18)16-6-7-19-11(9-16)8-15-10(2)17;/h11H,4-9,14H2,1-3H3,(H,15,17);1H.
What are the key properties of N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride?
N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119788831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).