N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide

C17H26N2O3 — CID 91651334

IUPACN-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide
SMILESCOCCCN(C)C(=O)N1CCOC(C)(c2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(15-8-5-4-6-9-15)14-19(11-13-22-17)16(20)18(2)10-7-12-21-3/h4-6,8-9H,7,10-14H2,1-3H3
InChIKeyADDXYHJFZAAPFH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds5

About N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide

N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide (PubChem CID 91651334) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide
PubChem CID91651334
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide
SMILESCOCCCN(C)C(=O)N1CCOC(C)(c2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(15-8-5-4-6-9-15)14-19(11-13-22-17)16(20)18(2)10-7-12-21-3/h4-6,8-9H,7,10-14H2,1-3H3
InChIKeyADDXYHJFZAAPFH-UHFFFAOYSA-N
XLogP2.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide (CID 91651334) is N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide is COCCCN(C)C(=O)N1CCOC(C)(c2ccccc2)C1.
What is the InChIKey of N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide?
The InChIKey is ADDXYHJFZAAPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(15-8-5-4-6-9-15)14-19(11-13-22-17)16(20)18(2)10-7-12-21-3/h4-6,8-9H,7,10-14H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide?
N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 91651334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).