N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide

C16H20N4O3 — CID 119858998

IUPACN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C16H20N4O3/c1-20-8-6-18-15(20)11-23-13-4-2-12(3-5-13)19-16(21)14-10-17-7-9-22-14/h2-6,8,14,17H,7,9-11H2,1H3,(H,19,21)
InChIKeyODKRXUCGWVFQGE-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.93
Rot. Bonds5

About N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide

N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide (PubChem CID 119858998) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide
PubChem CID119858998
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C16H20N4O3/c1-20-8-6-18-15(20)11-23-13-4-2-12(3-5-13)19-16(21)14-10-17-7-9-22-14/h2-6,8,14,17H,7,9-11H2,1H3,(H,19,21)
InChIKeyODKRXUCGWVFQGE-UHFFFAOYSA-N
XLogP0.93
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119709306
N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119698644
N-[4-(oxolan-2-ylmethoxy)phenyl]morpholine-2-carboxamide
CID 119712753
(3R)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 94518565
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 86998698
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119762398
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119858947
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
N-(4-cyclopentyloxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119714810
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide (CID 119858998) is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide is Cn1ccnc1COc1ccc(NC(=O)C2CNCCO2)cc1.
What is the InChIKey of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide?
The InChIKey is ODKRXUCGWVFQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20-8-6-18-15(20)11-23-13-4-2-12(3-5-13)19-16(21)14-10-17-7-9-22-14/h2-6,8,14,17H,7,9-11H2,1H3,(H,19,21).
What are the key properties of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide?
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119858998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).