4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide

C15H21N3O3 — CID 115294277

IUPAC4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H21N3O3/c1-18(14(20)15(16)7-9-21-10-8-15)11-13(19)17-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3,(H,17,19)
InChIKeyLUOUHTQSKSIFBO-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.59
Rot. Bonds4

About 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide

4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide (PubChem CID 115294277) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide
PubChem CID115294277
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H21N3O3/c1-18(14(20)15(16)7-9-21-10-8-15)11-13(19)17-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3,(H,17,19)
InChIKeyLUOUHTQSKSIFBO-UHFFFAOYSA-N
XLogP0.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide
CID 64892555
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
CID 55666606
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
N-(2-anilino-2-oxoethyl)-N,3-dimethylpiperidine-3-carboxamide
CID 63131670
4-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 120918602
1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
CID 120941701
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
N-(2-anilino-2-oxoethyl)-3-bromo-N-methyladamantane-1-carboxamide
CID 51114247
4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
CID 115293667
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide (CID 115294277) is 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide?
The InChIKey is LUOUHTQSKSIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(14(20)15(16)7-9-21-10-8-15)11-13(19)17-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide?
4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 115294277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).