N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide

C14H20N2O4 — CID 106592058

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide
SMILESCCC(C)(CO)NC(=O)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-4-14(3,9-17)15-13(18)10(2)11-6-5-7-12(8-11)16(19)20/h5-8,10,17H,4,9H2,1-3H3,(H,15,18)
InChIKeyBNTTUMDAJDPXDN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.98
Rot. Bonds6

About N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide

N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide (PubChem CID 106592058) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide
PubChem CID106592058
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide
SMILESCCC(C)(CO)NC(=O)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-4-14(3,9-17)15-13(18)10(2)11-6-5-7-12(8-11)16(19)20/h5-8,10,17H,4,9H2,1-3H3,(H,15,18)
InChIKeyBNTTUMDAJDPXDN-UHFFFAOYSA-N
XLogP1.98
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
2-ethyl-2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 103935771
N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
CID 106592073
N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
CID 106592010
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
2,4,4-trimethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine
CID 43731079
N-[(3-bromothiophen-2-yl)methyl]-2-(3-nitrophenyl)propanamide
CID 106592019
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide (CID 106592058) is N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide is CCC(C)(CO)NC(=O)C(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide?
The InChIKey is BNTTUMDAJDPXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-14(3,9-17)15-13(18)10(2)11-6-5-7-12(8-11)16(19)20/h5-8,10,17H,4,9H2,1-3H3,(H,15,18).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide has a molecular weight of 280.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106592058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).