N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide

C13H18N2O3 — CID 34684605

IUPACN-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-11-3-2-4-12(9-11)14-13(16)15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3,(H,14,16)
InChIKeyPCNHVPRGYZDQKS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.70
Rot. Bonds3

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

N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide (PubChem CID 34684605) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
PubChem CID34684605
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-11-3-2-4-12(9-11)14-13(16)15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3,(H,14,16)
InChIKeyPCNHVPRGYZDQKS-UHFFFAOYSA-N
XLogP1.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
CID 47042118
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
N-(3-formamidophenyl)morpholine-4-carboxamide
CID 168652828
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide (CID 34684605) is N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide is COCc1cccc(NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is PCNHVPRGYZDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-11-3-2-4-12(9-11)14-13(16)15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3,(H,14,16).
What are the key properties of N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide?
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 34684605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).