4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide

C16H25N3O2 — CID 83097771

IUPAC4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(c1ccccc1)C(C)N
InChIInChI=1S/C16H25N3O2/c1-3-18-16(20)14-11-21-10-9-19(14)15(12(2)17)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3,(H,18,20)
InChIKeyREYRMQDETVKTLP-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.91
Rot. Bonds5

About 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide

4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83097771) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83097771
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(c1ccccc1)C(C)N
InChIInChI=1S/C16H25N3O2/c1-3-18-16(20)14-11-21-10-9-19(14)15(12(2)17)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3,(H,18,20)
InChIKeyREYRMQDETVKTLP-UHFFFAOYSA-N
XLogP0.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106921
1-(3-ethylmorpholin-4-yl)-1-phenylpropan-2-amine
CID 55017138
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 83100910
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-N-ethylmorpholine-3-carboxamide
CID 83106718
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
4-(2-amino-1-thiophen-3-ylpropyl)morpholine-3-carboxamide
CID 83101539

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide (CID 83097771) is 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(c1ccccc1)C(C)N.
What is the InChIKey of 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is REYRMQDETVKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-18-16(20)14-11-21-10-9-19(14)15(12(2)17)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83097771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).