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

C12H17ClN4O3 — CID 119702027

IUPACN-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)Nc1cccc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C12H16N4O3.ClH/c13-12(18)16-9-3-1-2-8(6-9)15-11(17)10-7-14-4-5-19-10;/h1-3,6,10,14H,4-5,7H2,(H,15,17)(H3,13,16,18);1H
InChIKeyPGOPXRBPOOLPEY-UHFFFAOYSA-N
MW300.75 g/mol
LogP0.53
Rot. Bonds3

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

N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119702027) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119702027
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC NameN-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)Nc1cccc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C12H16N4O3.ClH/c13-12(18)16-9-3-1-2-8(6-9)15-11(17)10-7-14-4-5-19-10;/h1-3,6,10,14H,4-5,7H2,(H,15,17)(H3,13,16,18);1H
InChIKeyPGOPXRBPOOLPEY-UHFFFAOYSA-N
XLogP0.53
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
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CID 119711589
N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide
CID 119692150
N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride
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N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119856261
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-[3-(tert-butylsulfinylmethyl)phenyl]morpholine-2-carboxamide
CID 119790021

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119702027) is N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.NC(=O)Nc1cccc(NC(=O)C2CNCCO2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is PGOPXRBPOOLPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3.ClH/c13-12(18)16-9-3-1-2-8(6-9)15-11(17)10-7-14-4-5-19-10;/h1-3,6,10,14H,4-5,7H2,(H,15,17)(H3,13,16,18);1H.
What are the key properties of N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 300.75 g/mol, XLogP of 0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119702027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).