N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide

C18H29N3O3 — CID 112503691

IUPACN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCOCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29N3O3/c1-4-20(5-2)17(15-6-8-16(23-3)9-7-15)14-19-18(22)21-10-12-24-13-11-21/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)
InChIKeyRTLRSPXZHQATCC-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide

N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide (PubChem CID 112503691) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
PubChem CID112503691
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCOCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29N3O3/c1-4-20(5-2)17(15-6-8-16(23-3)9-7-15)14-19-18(22)21-10-12-24-13-11-21/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)
InChIKeyRTLRSPXZHQATCC-UHFFFAOYSA-N
XLogP2.12
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide (CID 112503691) is N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide is CCN(CC)C(CNC(=O)N1CCOCC1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The InChIKey is RTLRSPXZHQATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-20(5-2)17(15-6-8-16(23-3)9-7-15)14-19-18(22)21-10-12-24-13-11-21/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide?
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 112503691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).