N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide

C16H23N3O3 — CID 119701239

IUPACN-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2CNCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)15(20)19-13-5-3-12(4-6-13)9-18-16(21)14-10-17-7-8-22-14/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySVFIBUOQUKZOGR-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.89
Rot. Bonds5

About N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide

N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 119701239) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
PubChem CID119701239
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2CNCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)15(20)19-13-5-3-12(4-6-13)9-18-16(21)14-10-17-7-8-22-14/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySVFIBUOQUKZOGR-UHFFFAOYSA-N
XLogP0.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701228
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[[3-(2-methylbutanoylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119716891
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
CID 119725786
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide (CID 119701239) is N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide is CC(C)C(=O)Nc1ccc(CNC(=O)C2CNCCO2)cc1.
What is the InChIKey of N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is SVFIBUOQUKZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)15(20)19-13-5-3-12(4-6-13)9-18-16(21)14-10-17-7-8-22-14/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide?
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119701239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).