N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide

C14H18ClN3O3 — CID 115293893

IUPACN-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(N)CCOCC2)cc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-9(19)17-12-3-2-10(8-11(12)15)18-13(20)14(16)4-6-21-7-5-14/h2-3,8H,4-7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyTXBWYLSAQZLUIX-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.74
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide

N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide (PubChem CID 115293893) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
PubChem CID115293893
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(N)CCOCC2)cc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-9(19)17-12-3-2-10(8-11(12)15)18-13(20)14(16)4-6-21-7-5-14/h2-3,8H,4-7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyTXBWYLSAQZLUIX-UHFFFAOYSA-N
XLogP1.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
CID 115293826
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
CID 119743322

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide (CID 115293893) is N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(N)CCOCC2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide?
The InChIKey is TXBWYLSAQZLUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-9(19)17-12-3-2-10(8-11(12)15)18-13(20)14(16)4-6-21-7-5-14/h2-3,8H,4-7,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide?
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide is sourced from PubChem (CID 115293893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).