N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride

C14H20ClN3O3 — CID 119760753

IUPACN-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)(C(N)=O)c1ccccc1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-14(13(15)19,10-5-3-2-4-6-10)17-12(18)11-9-16-7-8-20-11;/h2-6,11,16H,7-9H2,1H3,(H2,15,19)(H,17,18);1H
InChIKeyBHAQHSWKVPPJMQ-UHFFFAOYSA-N
MW313.78 g/mol
LogP-0.09
Rot. Bonds4

About N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride

N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119760753) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
PubChem CID119760753
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC NameN-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)(C(N)=O)c1ccccc1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-14(13(15)19,10-5-3-2-4-6-10)17-12(18)11-9-16-7-8-20-11;/h2-6,11,16H,7-9H2,1H3,(H2,15,19)(H,17,18);1H
InChIKeyBHAQHSWKVPPJMQ-UHFFFAOYSA-N
XLogP-0.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride (CID 119760753) is N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride is CC(NC(=O)C1CNCCO1)(C(N)=O)c1ccccc1.Cl.
What is the InChIKey of N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is BHAQHSWKVPPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-14(13(15)19,10-5-3-2-4-6-10)17-12(18)11-9-16-7-8-20-11;/h2-6,11,16H,7-9H2,1H3,(H2,15,19)(H,17,18);1H.
What are the key properties of N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride?
N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119760753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).