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

C16H25N3O2 — CID 83098381

IUPAC4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(CN)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-2-18-16(20)15-12-21-9-8-19(15)11-14(10-17)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3,(H,18,20)
InChIKeyKOCSYIMHYLFCRF-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.57
Rot. Bonds6

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

4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83098381) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83098381
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(CN)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-2-18-16(20)15-12-21-9-8-19(15)11-14(10-17)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3,(H,18,20)
InChIKeyKOCSYIMHYLFCRF-UHFFFAOYSA-N
XLogP0.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
4-[3-(ethylcarbamoyl)morpholin-4-yl]-3-hydroxybutanoic acid
CID 83100116
3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
CID 83101373
4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-ethylmorpholine-3-carboxamide
CID 83097772
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124842240
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide (CID 83098381) is 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1CC(CN)c1ccccc1.
What is the InChIKey of 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is KOCSYIMHYLFCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18-16(20)15-12-21-9-8-19(15)11-14(10-17)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3,(H,18,20).
What are the key properties of 4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide?
4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.57, 6 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-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).