N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide

C24H24N2O5 — CID 46637806

IUPACN-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
SMILESCOc1cc(CCNC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C24H24N2O5/c1-30-21-15-19(20(26(28)29)16-22(21)31-2)13-14-25-24(27)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,23H,13-14H2,1-2H3,(H,25,27)
InChIKeyQCOQKRGRRRKFMH-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.10
Rot. Bonds9

About N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide

N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide (PubChem CID 46637806) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
PubChem CID46637806
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
SMILESCOc1cc(CCNC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C24H24N2O5/c1-30-21-15-19(20(26(28)29)16-22(21)31-2)13-14-25-24(27)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,23H,13-14H2,1-2H3,(H,25,27)
InChIKeyQCOQKRGRRRKFMH-UHFFFAOYSA-N
XLogP4.10
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.10
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

N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbutanamide
CID 24622437
2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
CID 24517004
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 17440543
N-[1-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46656128
3-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide
CID 119274215
3-(2-aminophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120608355
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
2-(4-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide
CID 24517031
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 46421443
(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24617380
(2R)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 52539640
2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
CID 46483761

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide (CID 46637806) is N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide is COc1cc(CCNC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide?
The InChIKey is QCOQKRGRRRKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-30-21-15-19(20(26(28)29)16-22(21)31-2)13-14-25-24(27)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,23H,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide?
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide has a molecular weight of 420.47 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 46637806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).