4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide

C15H23N3O2 — CID 83106446

IUPAC4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(CN)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-17-15(19)14-11-20-8-7-18(14)10-13(9-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyJFQWEMDUULEGPY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.18
Rot. Bonds5

About 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide

4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83106446) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
PubChem CID83106446
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(CN)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-17-15(19)14-11-20-8-7-18(14)10-13(9-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyJFQWEMDUULEGPY-UHFFFAOYSA-N
XLogP0.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
CID 83101373
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
CID 83098387
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide
CID 83106929
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124842240
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide (CID 83106446) is 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(CN)c1ccccc1.
What is the InChIKey of 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is JFQWEMDUULEGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-15(19)14-11-20-8-7-18(14)10-13(9-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19).
What are the key properties of 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide?
4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).