N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride

C20H25ClN4O3 — CID 119719704

IUPACN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)C3CNCCO3)c2)c1.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-14-4-2-6-16(10-14)23-20(26)24-17-7-3-5-15(11-17)12-22-19(25)18-13-21-8-9-27-18;/h2-7,10-11,18,21H,8-9,12-13H2,1H3,(H,22,25)(H2,23,24,26);1H
InChIKeyYJWBTWHJRSNWBB-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.67
Rot. Bonds5

About N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119719704) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119719704
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)C3CNCCO3)c2)c1.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-14-4-2-6-16(10-14)23-20(26)24-17-7-3-5-15(11-17)12-22-19(25)18-13-21-8-9-27-18;/h2-7,10-11,18,21H,8-9,12-13H2,1H3,(H,22,25)(H2,23,24,26);1H
InChIKeyYJWBTWHJRSNWBB-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
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CID 119716891
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[3-(ethylcarbamoylamino)phenyl]morpholine-2-carboxamide
CID 119755895
N-[3-[(3-methylphenyl)methoxy]phenyl]morpholine-2-carboxamide
CID 119783770
N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide
CID 119750855
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119719704) is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C3CNCCO3)c2)c1.Cl.
What is the InChIKey of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is YJWBTWHJRSNWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.ClH/c1-14-4-2-6-16(10-14)23-20(26)24-17-7-3-5-15(11-17)12-22-19(25)18-13-21-8-9-27-18;/h2-7,10-11,18,21H,8-9,12-13H2,1H3,(H,22,25)(H2,23,24,26);1H.
What are the key properties of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119719704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).