4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide

C16H24N2O2 — CID 97329109

IUPAC4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@]2(C)CCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-4-18(5-2)14-8-6-13(7-9-14)15(19)17-16(3)10-11-20-12-16/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)/t16-/m0/s1
InChIKeyKSFLTCPYKLVGRL-INIZCTEOSA-N
MW276.38 g/mol
LogP2.44
Rot. Bonds5

About 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide

4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide (PubChem CID 97329109) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide
PubChem CID97329109
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@]2(C)CCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-4-18(5-2)14-8-6-13(7-9-14)15(19)17-16(3)10-11-20-12-16/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)/t16-/m0/s1
InChIKeyKSFLTCPYKLVGRL-INIZCTEOSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide (CID 97329109) is 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide is CCN(CC)c1ccc(C(=O)N[C@@]2(C)CCOC2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide?
The InChIKey is KSFLTCPYKLVGRL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18(5-2)14-8-6-13(7-9-14)15(19)17-16(3)10-11-20-12-16/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)/t16-/m0/s1.
What are the key properties of 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide?
4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide is sourced from PubChem (CID 97329109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).