N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride

C17H25ClN4O4 — CID 119701987

IUPACN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCO1)Nc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C17H24N4O4.ClH/c22-16(15-11-18-7-9-25-15)20-12-3-5-13(6-4-12)21-17(23)19-10-14-2-1-8-24-14;/h3-6,14-15,18H,1-2,7-11H2,(H,20,22)(H2,19,21,23);1H
InChIKeyOIHMFYULMOQPDC-UHFFFAOYSA-N
MW384.86 g/mol
LogP1.34
Rot. Bonds5

About N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride

N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119701987) has the molecular formula C17H25ClN4O4 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119701987
Molecular FormulaC17H25ClN4O4
Molecular Weight384.86 g/mol
Exact Mass384.16
IUPAC NameN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCO1)Nc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C17H24N4O4.ClH/c22-16(15-11-18-7-9-25-15)20-12-3-5-13(6-4-12)21-17(23)19-10-14-2-1-8-24-14;/h3-6,14-15,18H,1-2,7-11H2,(H,20,22)(H2,19,21,23);1H
InChIKeyOIHMFYULMOQPDC-UHFFFAOYSA-N
XLogP1.34
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxolan-2-ylmethoxy)phenyl]morpholine-2-carboxamide
CID 119712753
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CID 119700164
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55527226
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119740967
N-(4-cyclopentyloxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119714810
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119701987) is N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCO1)Nc1ccc(NC(=O)C2CNCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is OIHMFYULMOQPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4.ClH/c22-16(15-11-18-7-9-25-15)20-12-3-5-13(6-4-12)21-17(23)19-10-14-2-1-8-24-14;/h3-6,14-15,18H,1-2,7-11H2,(H,20,22)(H2,19,21,23);1H.
What are the key properties of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 384.86 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119701987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).