4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide

C16H25N3O2 — CID 83098536

IUPAC4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCCNCc1ccc(N2CCOCC2C(N)=O)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-3-6-18-10-13-4-5-14(12(2)9-13)19-7-8-21-11-15(19)16(17)20/h4-5,9,15,18H,3,6-8,10-11H2,1-2H3,(H2,17,20)
InChIKeyYMDRPGPGWQBRFU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.19
Rot. Bonds6

About 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide

4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83098536) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
PubChem CID83098536
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCCNCc1ccc(N2CCOCC2C(N)=O)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-3-6-18-10-13-4-5-14(12(2)9-13)19-7-8-21-11-15(19)16(17)20/h4-5,9,15,18H,3,6-8,10-11H2,1-2H3,(H2,17,20)
InChIKeyYMDRPGPGWQBRFU-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096329
1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
CID 63061257
4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096413
1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 81148490
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
CID 62121881
4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
CID 83098525
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide
CID 114853087
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide (CID 83098536) is 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide is CCCNCc1ccc(N2CCOCC2C(N)=O)c(C)c1.
What is the InChIKey of 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is YMDRPGPGWQBRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-6-18-10-13-4-5-14(12(2)9-13)19-7-8-21-11-15(19)16(17)20/h4-5,9,15,18H,3,6-8,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83098536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).