N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide

C18H26N4O4 — CID 118585548

IUPACN-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C18H26N4O4/c23-17(21-4-8-25-9-5-21)19-13-15-2-1-3-16(12-15)14-20-18(24)22-6-10-26-11-7-22/h1-3,12H,4-11,13-14H2,(H,19,23)(H,20,24)
InChIKeyWCKBFABZYYNPCO-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.77
Rot. Bonds4

About N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide

N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 118585548) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
PubChem CID118585548
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C18H26N4O4/c23-17(21-4-8-25-9-5-21)19-13-15-2-1-3-16(12-15)14-20-18(24)22-6-10-26-11-7-22/h1-3,12H,4-11,13-14H2,(H,19,23)(H,20,24)
InChIKeyWCKBFABZYYNPCO-UHFFFAOYSA-N
XLogP0.77
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide
CID 113224255
(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124593335
4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 60562062
N-(1H-pyrrol-3-ylmethyl)morpholine-4-carboxamide
CID 110873953
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
4-acetyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898818
N-(1H-pyrazol-4-ylmethyl)morpholine-4-carboxamide
CID 79151879

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide (CID 118585548) is N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide is O=C(NCc1cccc(CNC(=O)N2CCOCC2)c1)N1CCOCC1.
What is the InChIKey of N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is WCKBFABZYYNPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c23-17(21-4-8-25-9-5-21)19-13-15-2-1-3-16(12-15)14-20-18(24)22-6-10-26-11-7-22/h1-3,12H,4-11,13-14H2,(H,19,23)(H,20,24).
What are the key properties of N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide?
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 118585548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).