N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride

C15H20ClN3O3 — CID 119740967

IUPACN-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-2-7-17-14(19)11-3-5-12(6-4-11)18-15(20)13-10-16-8-9-21-13;/h2-6,13,16H,1,7-10H2,(H,17,19)(H,18,20);1H
InChIKeyUXXPPTSDSRXSSA-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.95
Rot. Bonds5

About N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride

N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119740967) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119740967
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-2-7-17-14(19)11-3-5-12(6-4-11)18-15(20)13-10-16-8-9-21-13;/h2-6,13,16H,1,7-10H2,(H,17,19)(H,18,20);1H
InChIKeyUXXPPTSDSRXSSA-UHFFFAOYSA-N
XLogP0.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(propylcarbamoyl)phenyl]morpholine-2-carboxamide
CID 119739016
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119868290
N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712395
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119701987
3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
2-methyl-2-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 80549799
N-[4-(2-amino-2-oxoethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119709306

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119740967) is N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride is C=CCNC(=O)c1ccc(NC(=O)C2CNCCO2)cc1.Cl.
What is the InChIKey of N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is UXXPPTSDSRXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c1-2-7-17-14(19)11-3-5-12(6-4-11)18-15(20)13-10-16-8-9-21-13;/h2-6,13,16H,1,7-10H2,(H,17,19)(H,18,20);1H.
What are the key properties of N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119740967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).