N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide

C16H23N3O3 — CID 119725786

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CNCCO1
InChIInChI=1S/C16H23N3O3/c1-10(2)15(20)18-12-5-4-11(3)13(8-12)19-16(21)14-9-17-6-7-22-14/h4-5,8,10,14,17H,6-7,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNIFDINZWRCKQAJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.52
Rot. Bonds4

About N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide (PubChem CID 119725786) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
PubChem CID119725786
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CNCCO1
InChIInChI=1S/C16H23N3O3/c1-10(2)15(20)18-12-5-4-11(3)13(8-12)19-16(21)14-9-17-6-7-22-14/h4-5,8,10,14,17H,6-7,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNIFDINZWRCKQAJ-UHFFFAOYSA-N
XLogP1.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725791
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide
CID 119758954
N-[3-(diethylsulfamoyl)-4-methylphenyl]morpholine-2-carboxamide
CID 119674988
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
N-(2-fluoro-4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675290
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
CID 119802655

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide (CID 119725786) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CNCCO1.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide?
The InChIKey is NIFDINZWRCKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)15(20)18-12-5-4-11(3)13(8-12)19-16(21)14-9-17-6-7-22-14/h4-5,8,10,14,17H,6-7,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119725786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).