N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

C18H24N2O3 — CID 110280766

IUPACN-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccc(C2C(C(=O)N(C)CC3CC3)OCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O3/c1-12-4-8-14(9-5-12)16-17(23-11-15(21)20(16)3)18(22)19(2)10-13-6-7-13/h4-5,8-9,13,16-17H,6-7,10-11H2,1-3H3
InChIKeyGSSZSZQHNQNZJH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.76
Rot. Bonds4

About N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide

N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 110280766) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID110280766
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccc(C2C(C(=O)N(C)CC3CC3)OCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O3/c1-12-4-8-14(9-5-12)16-17(23-11-15(21)20(16)3)18(22)19(2)10-13-6-7-13/h4-5,8-9,13,16-17H,6-7,10-11H2,1-3H3
InChIKeyGSSZSZQHNQNZJH-UHFFFAOYSA-N
XLogP1.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 110280766) is N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1ccc(C2C(C(=O)N(C)CC3CC3)OCC(=O)N2C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is GSSZSZQHNQNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-4-8-14(9-5-12)16-17(23-11-15(21)20(16)3)18(22)19(2)10-13-6-7-13/h4-5,8-9,13,16-17H,6-7,10-11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide?
N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 110280766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).