N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide

C20H23N3O5 — CID 31719529

IUPACN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O5/c1-27-19-8-7-16(11-18(19)23(25)26)20(24)21-12-17-14-22(9-10-28-17)13-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeySSZJBMVRLANVEI-QGZVFWFLSA-N
MW385.42 g/mol
LogP2.23
Rot. Bonds7

About N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide

N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide (PubChem CID 31719529) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
PubChem CID31719529
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O5/c1-27-19-8-7-16(11-18(19)23(25)26)20(24)21-12-17-14-22(9-10-28-17)13-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeySSZJBMVRLANVEI-QGZVFWFLSA-N
XLogP2.23
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 43006687
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide (CID 31719529) is N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-].
What is the InChIKey of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is SSZJBMVRLANVEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-19-8-7-16(11-18(19)23(25)26)20(24)21-12-17-14-22(9-10-28-17)13-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide?
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 385.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 31719529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).