N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide

C13H18N2O3 — CID 669628

IUPACN-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-12-4-2-11(3-5-12)10-14-13(16)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyMBWNQUPXCQMZQW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.24
Rot. Bonds3

About N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide

N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide (PubChem CID 669628) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
PubChem CID669628
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-12-4-2-11(3-5-12)10-14-13(16)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyMBWNQUPXCQMZQW-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536753
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 18285766
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 163339915
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide (CID 669628) is N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide is COc1ccc(CNC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is MBWNQUPXCQMZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-4-2-11(3-5-12)10-14-13(16)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3,(H,14,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 669628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).