3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide

C14H19N3O3 — CID 64892555

IUPAC3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1(N)CCOC1
InChIInChI=1S/C14H19N3O3/c1-17(13(19)14(15)7-8-20-10-14)9-12(18)16-11-5-3-2-4-6-11/h2-6H,7-10,15H2,1H3,(H,16,18)
InChIKeyLGMQSILQVCNZSE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide

3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide (PubChem CID 64892555) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide
PubChem CID64892555
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1(N)CCOC1
InChIInChI=1S/C14H19N3O3/c1-17(13(19)14(15)7-8-20-10-14)9-12(18)16-11-5-3-2-4-6-11/h2-6H,7-10,15H2,1H3,(H,16,18)
InChIKeyLGMQSILQVCNZSE-UHFFFAOYSA-N
XLogP0.20
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide
CID 115294277
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
CID 55666606
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
3-amino-N-[2-[(dimethylamino)methyl]phenyl]oxolane-3-carboxamide
CID 64891107
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
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
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide (CID 64892555) is 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide?
The InChIKey is LGMQSILQVCNZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17(13(19)14(15)7-8-20-10-14)9-12(18)16-11-5-3-2-4-6-11/h2-6H,7-10,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide?
3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64892555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).