4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide

C14H20ClN3O2 — CID 66249432

IUPAC4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H20ClN3O2/c1-14(8-20-7-11(14)16)13(19)17-10-6-4-5-9(15)12(10)18(2)3/h4-6,11H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyRJYCAYGRZIOUNP-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.71
Rot. Bonds3

About 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide

4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide (PubChem CID 66249432) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
PubChem CID66249432
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H20ClN3O2/c1-14(8-20-7-11(14)16)13(19)17-10-6-4-5-9(15)12(10)18(2)3/h4-6,11H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyRJYCAYGRZIOUNP-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66249041
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide
CID 63121972
4-amino-N-[2-(methoxymethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66248648
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
CID 66250811
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide (CID 66249432) is 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide?
The InChIKey is RJYCAYGRZIOUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(8-20-7-11(14)16)13(19)17-10-6-4-5-9(15)12(10)18(2)3/h4-6,11H,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66249432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).