N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

C17H25ClN4O3 — CID 119743730

IUPACN-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(NC(=O)N2CCCC2)c1)C1CNCCO1
InChIInChI=1S/C17H24N4O3.ClH/c22-16(15-12-18-6-9-24-15)19-11-13-4-3-5-14(10-13)20-17(23)21-7-1-2-8-21;/h3-5,10,15,18H,1-2,6-9,11-12H2,(H,19,22)(H,20,23);1H
InChIKeyTXEVTZGJOKILIJ-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.34
Rot. Bonds4

About N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119743730) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119743730
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(NC(=O)N2CCCC2)c1)C1CNCCO1
InChIInChI=1S/C17H24N4O3.ClH/c22-16(15-12-18-6-9-24-15)19-11-13-4-3-5-14(10-13)20-17(23)21-7-1-2-8-21;/h3-5,10,15,18H,1-2,6-9,11-12H2,(H,19,22)(H,20,23);1H
InChIKeyTXEVTZGJOKILIJ-UHFFFAOYSA-N
XLogP1.34
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-[[3-(2-methylbutanoylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119716891
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119736053
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119781726
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119300488

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119743730) is N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(NC(=O)N2CCCC2)c1)C1CNCCO1.
What is the InChIKey of N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is TXEVTZGJOKILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c22-16(15-12-18-6-9-24-15)19-11-13-4-3-5-14(10-13)20-17(23)21-7-1-2-8-21;/h3-5,10,15,18H,1-2,6-9,11-12H2,(H,19,22)(H,20,23);1H.
What are the key properties of N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119743730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).