4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide

C15H21ClN2O2 — CID 66248069

IUPAC4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)C1(C)COCC1N
InChIInChI=1S/C15H21ClN2O2/c1-10(6-11-4-3-5-12(16)7-11)18-14(19)15(2)9-20-8-13(15)17/h3-5,7,10,13H,6,8-9,17H2,1-2H3,(H,18,19)
InChIKeyKMRAYPYUSAXADR-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.75
Rot. Bonds4

About 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide

4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide (PubChem CID 66248069) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide
PubChem CID66248069
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)C1(C)COCC1N
InChIInChI=1S/C15H21ClN2O2/c1-10(6-11-4-3-5-12(16)7-11)18-14(19)15(2)9-20-8-13(15)17/h3-5,7,10,13H,6,8-9,17H2,1-2H3,(H,18,19)
InChIKeyKMRAYPYUSAXADR-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide (CID 66248069) is 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide is CC(Cc1cccc(Cl)c1)NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide?
The InChIKey is KMRAYPYUSAXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(6-11-4-3-5-12(16)7-11)18-14(19)15(2)9-20-8-13(15)17/h3-5,7,10,13H,6,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide?
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66248069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).