N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide

C23H38N2O2 — CID 175304205

IUPACN-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide
SMILESCCCCCN(C(=O)N1C(c2ccccc2C)COCC1(C)C)C(C)(C)C
InChIInChI=1S/C23H38N2O2/c1-8-9-12-15-24(22(3,4)5)21(26)25-20(16-27-17-23(25,6)7)19-14-11-10-13-18(19)2/h10-11,13-14,20H,8-9,12,15-17H2,1-7H3
InChIKeyRTEJPNUYWKVDGA-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.56
Rot. Bonds5

About N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide

N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide (PubChem CID 175304205) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide
PubChem CID175304205
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide
SMILESCCCCCN(C(=O)N1C(c2ccccc2C)COCC1(C)C)C(C)(C)C
InChIInChI=1S/C23H38N2O2/c1-8-9-12-15-24(22(3,4)5)21(26)25-20(16-27-17-23(25,6)7)19-14-11-10-13-18(19)2/h10-11,13-14,20H,8-9,12,15-17H2,1-7H3
InChIKeyRTEJPNUYWKVDGA-UHFFFAOYSA-N
XLogP5.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide?
The IUPAC name of N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide (CID 175304205) is N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide is CCCCCN(C(=O)N1C(c2ccccc2C)COCC1(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide?
The InChIKey is RTEJPNUYWKVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-8-9-12-15-24(22(3,4)5)21(26)25-20(16-27-17-23(25,6)7)19-14-11-10-13-18(19)2/h10-11,13-14,20H,8-9,12,15-17H2,1-7H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide?
N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide has a molecular weight of 374.57 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-5-(2-methylphenyl)-N-pentylmorpholine-4-carboxamide is sourced from PubChem (CID 175304205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).