N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide

C15H23N3O2 — CID 91683940

IUPACN-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)C)cc1N1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-10(2)15(19)17-13-9-14(11(3)8-12(13)16)18-4-6-20-7-5-18/h8-10H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyVRPTWNKWLPSSJN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.01
Rot. Bonds3

About N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide

N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide (PubChem CID 91683940) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
PubChem CID91683940
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
SMILESCc1cc(N)c(NC(=O)C(C)C)cc1N1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-10(2)15(19)17-13-9-14(11(3)8-12(13)16)18-4-6-20-7-5-18/h8-10H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyVRPTWNKWLPSSJN-UHFFFAOYSA-N
XLogP2.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
N-[2-amino-5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969024
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 99969022
(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid
CID 18548746
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575
N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide
CID 50881059
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
CID 91676215
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide?
The IUPAC name of N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide (CID 91683940) is N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide is Cc1cc(N)c(NC(=O)C(C)C)cc1N1CCOCC1.
What is the InChIKey of N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide?
The InChIKey is VRPTWNKWLPSSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)15(19)17-13-9-14(11(3)8-12(13)16)18-4-6-20-7-5-18/h8-10H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide?
N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 91683940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).