N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide

C17H24N2O2 — CID 2788460

IUPACN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)14-6-5-7-15(12-14)17(3,4)18-16(20)19-8-10-21-11-9-19/h5-7,12H,1,8-11H2,2-4H3,(H,18,20)
InChIKeyPBKXFGYQDUYYAX-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.00
Rot. Bonds3

About N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide

N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 2788460) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide
PubChem CID2788460
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)14-6-5-7-15(12-14)17(3,4)18-16(20)19-8-10-21-11-9-19/h5-7,12H,1,8-11H2,2-4H3,(H,18,20)
InChIKeyPBKXFGYQDUYYAX-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide (CID 2788460) is N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is PBKXFGYQDUYYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)14-6-5-7-15(12-14)17(3,4)18-16(20)19-8-10-21-11-9-19/h5-7,12H,1,8-11H2,2-4H3,(H,18,20).
What are the key properties of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 2788460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).