N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide

C15H23N3O2 — CID 106911473

IUPACN-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide
SMILESCCCNCc1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-2-7-16-12-13-3-5-14(6-4-13)17-15(19)18-8-10-20-11-9-18/h3-6,16H,2,7-12H2,1H3,(H,17,19)
InChIKeyCPEPRFZFIKTWPS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.05
Rot. Bonds5

About N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide

N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide (PubChem CID 106911473) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide
PubChem CID106911473
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide
SMILESCCCNCc1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-2-7-16-12-13-3-5-14(6-4-13)17-15(19)18-8-10-20-11-9-18/h3-6,16H,2,7-12H2,1H3,(H,17,19)
InChIKeyCPEPRFZFIKTWPS-UHFFFAOYSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
N-[4-(ethylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911585
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911651
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
N-[4-[1-(methylamino)ethyl]phenyl]morpholine-4-carboxamide
CID 61341444
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
N-propylmorpholine-4-carboxamide
CID 3410822
3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide (CID 106911473) is N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide is CCCNCc1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is CPEPRFZFIKTWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-7-16-12-13-3-5-14(6-4-13)17-15(19)18-8-10-20-11-9-18/h3-6,16H,2,7-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide?
N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 106911473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).