2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide

C24H25N3O4 — CID 30834870

IUPAC2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide
SMILESCc1c(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C24H25N3O4/c1-17-19(9-5-11-22(17)27(29)30)24(28)25-16-23(26-12-14-31-15-13-26)21-10-4-7-18-6-2-3-8-20(18)21/h2-11,23H,12-16H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyNHEWYOSGJGIWRI-QHCPKHFHSA-N
MW419.48 g/mol
LogP3.86
Rot. Bonds6

About 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide

2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide (PubChem CID 30834870) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide
PubChem CID30834870
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide
SMILESCc1c(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C24H25N3O4/c1-17-19(9-5-11-22(17)27(29)30)24(28)25-16-23(26-12-14-31-15-13-26)21-10-4-7-18-6-2-3-8-20(18)21/h2-11,23H,12-16H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyNHEWYOSGJGIWRI-QHCPKHFHSA-N
XLogP3.86
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-methyl-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-3-nitrobenzamide
CID 18589084
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methyl-3-nitrobenzamide
CID 43956139
4-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 8701633
4-fluoro-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]benzamide
CID 30834879
3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
CID 16813221
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 37051019
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 41453920
N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 43005191
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 16960953

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide?
The IUPAC name of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide (CID 30834870) is 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide?
The canonical SMILES for 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide is Cc1c(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide?
The InChIKey is NHEWYOSGJGIWRI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17-19(9-5-11-22(17)27(29)30)24(28)25-16-23(26-12-14-31-15-13-26)21-10-4-7-18-6-2-3-8-20(18)21/h2-11,23H,12-16H2,1H3,(H,25,28)/t23-/m0/s1.
What are the key properties of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide?
2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide has a molecular weight of 419.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide is sourced from PubChem (CID 30834870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).