N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide

C14H17N3O4 — CID 110000935

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide
SMILESCC(C)(CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H17N3O4/c1-14(2,8-18)16-13(19)5-9-7-15-12-4-3-10(17(20)21)6-11(9)12/h3-4,6-7,15,18H,5,8H2,1-2H3,(H,16,19)
InChIKeyXPPQOSCOUMINDS-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.51
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide (PubChem CID 110000935) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide
PubChem CID110000935
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide
SMILESCC(C)(CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H17N3O4/c1-14(2,8-18)16-13(19)5-9-7-15-12-4-3-10(17(20)21)6-11(9)12/h3-4,6-7,15,18H,5,8H2,1-2H3,(H,16,19)
InChIKeyXPPQOSCOUMINDS-UHFFFAOYSA-N
XLogP1.51
TPSA108.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
4-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357589
N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 75433748
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 2038867
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
methyl (2S)-3,3,3-trifluoro-2-(5-nitro-1H-indol-3-yl)propanoate
CID 125474614
2-[[2-(5-nitro-1H-indol-3-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548633

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide (CID 110000935) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide is CC(C)(CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide?
The InChIKey is XPPQOSCOUMINDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2,8-18)16-13(19)5-9-7-15-12-4-3-10(17(20)21)6-11(9)12/h3-4,6-7,15,18H,5,8H2,1-2H3,(H,16,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110000935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).