N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride

C20H25ClN4O3 — CID 119722017

IUPACN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-14(22-19(25)18-13-21-11-12-27-18)15-7-9-17(10-8-15)24-20(26)23-16-5-3-2-4-6-16;/h2-10,14,18,21H,11-13H2,1H3,(H,22,25)(H2,23,24,26);1H
InChIKeyJMMNEZNBBYFSOI-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.92
Rot. Bonds5

About N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride

N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119722017) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119722017
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC NameN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-14(22-19(25)18-13-21-11-12-27-18)15-7-9-17(10-8-15)24-20(26)23-16-5-3-2-4-6-16;/h2-10,14,18,21H,11-13H2,1H3,(H,22,25)(H2,23,24,26);1H
InChIKeyJMMNEZNBBYFSOI-UHFFFAOYSA-N
XLogP2.92
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
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N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
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N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
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N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]morpholine-2-carboxamide;hydrochloride
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N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[(1S)-1-(furan-2-yl)ethyl]morpholine-2-carboxamide
CID 81400797
(2S,5R)-5-(aminomethyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787279
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
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N-[(1R)-1-pyridin-2-ylethyl]morpholine-2-carboxamide
CID 81407111

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 119722017) is N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride is CC(NC(=O)C1CNCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl.
What is the InChIKey of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is JMMNEZNBBYFSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.ClH/c1-14(22-19(25)18-13-21-11-12-27-18)15-7-9-17(10-8-15)24-20(26)23-16-5-3-2-4-6-16;/h2-10,14,18,21H,11-13H2,1H3,(H,22,25)(H2,23,24,26);1H.
What are the key properties of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 2.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119722017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).