N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide

C15H23N3O3 — CID 61489263

IUPACN-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide
SMILESCC(C)C(C)NC(=O)CNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)12(3)17-15(19)10-16-9-8-13-4-6-14(7-5-13)18(20)21/h4-7,11-12,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyDIRCSKQOYFXLFP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.89
Rot. Bonds8

About N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide

N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide (PubChem CID 61489263) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide
PubChem CID61489263
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide
SMILESCC(C)C(C)NC(=O)CNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)12(3)17-15(19)10-16-9-8-13-4-6-14(7-5-13)18(20)21/h4-7,11-12,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyDIRCSKQOYFXLFP-UHFFFAOYSA-N
XLogP1.89
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
3-methyl-N-[2-(4-nitrophenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905303
4-[2-(4-nitrophenyl)ethylamino]butan-2-ol
CID 64912488
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
CID 115325808
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-nitrobenzoate
CID 2640474
3-methyl-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 62965783
N-(3-methylbutan-2-yl)-2-(2-methyl-5-nitroanilino)acetamide
CID 47145443
2-methyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61219672
4-[2-(4-nitrophenyl)ethylamino]butanoic acid
CID 43520095
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide
CID 62325144

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide (CID 61489263) is N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide is CC(C)C(C)NC(=O)CNCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide?
The InChIKey is DIRCSKQOYFXLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)12(3)17-15(19)10-16-9-8-13-4-6-14(7-5-13)18(20)21/h4-7,11-12,16H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide?
N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide is sourced from PubChem (CID 61489263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).