(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide

C21H26N2O5 — CID 8947301

IUPAC(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26N2O5/c1-15(28-19-13-17(23(25)26)11-12-18(19)27-5)20(24)22(21(2,3)4)14-16-9-7-6-8-10-16/h6-13,15H,14H2,1-5H3/t15-/m1/s1
InChIKeyNFJJVBARPIQWSP-OAHLLOKOSA-N
MW386.45 g/mol
LogP4.20
Rot. Bonds7

About (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide

(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide (PubChem CID 8947301) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide
PubChem CID8947301
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26N2O5/c1-15(28-19-13-17(23(25)26)11-12-18(19)27-5)20(24)22(21(2,3)4)14-16-9-7-6-8-10-16/h6-13,15H,14H2,1-5H3/t15-/m1/s1
InChIKeyNFJJVBARPIQWSP-OAHLLOKOSA-N
XLogP4.20
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
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

(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947335
1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
(2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide
CID 8639611
(2S)-N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
CID 7695065
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
4-(2-methoxy-5-nitrophenoxy)pentanoic acid
CID 62213612
2-(2-methoxy-5-nitrophenoxy)butanoic acid
CID 43808815
(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 108852527
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide (CID 8947301) is (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide?
The InChIKey is NFJJVBARPIQWSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-15(28-19-13-17(23(25)26)11-12-18(19)27-5)20(24)22(21(2,3)4)14-16-9-7-6-8-10-16/h6-13,15H,14H2,1-5H3/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide?
(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide has a molecular weight of 386.45 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide is sourced from PubChem (CID 8947301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).