2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide

C20H24N4O4 — CID 86930971

IUPAC2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H24N4O4/c1-13(2)22-19(25)11-15-4-6-16(7-5-15)21-12-20(26)23-18-9-8-17(24(27)28)10-14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLSVSBIXFBPEDQJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.02
Rot. Bonds8

About 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide

2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide (PubChem CID 86930971) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
PubChem CID86930971
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H24N4O4/c1-13(2)22-19(25)11-15-4-6-16(7-5-15)21-12-20(26)23-18-9-8-17(24(27)28)10-14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLSVSBIXFBPEDQJ-UHFFFAOYSA-N
XLogP3.02
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
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-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
N-(2-methylbutan-2-yl)-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55918061
ethyl (E)-3-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]prop-2-enoate
CID 55470256
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 110923536
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037
2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 32996968
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide (CID 86930971) is 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is LSVSBIXFBPEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13(2)22-19(25)11-15-4-6-16(7-5-15)21-12-20(26)23-18-9-8-17(24(27)28)10-14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 384.44 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86930971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).