N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide

C13H21N5O3 — CID 119572968

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
SMILESCc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H21N5O3/c1-9-15-11(18(20)21)7-17(9)6-5-12(19)16-13(2,8-14)10-3-4-10/h7,10H,3-6,8,14H2,1-2H3,(H,16,19)
InChIKeyRHNVIGURLCLDNA-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.73
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide (PubChem CID 119572968) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
PubChem CID119572968
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
SMILESCc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H21N5O3/c1-9-15-11(18(20)21)7-17(9)6-5-12(19)16-13(2,8-14)10-3-4-10/h7,10H,3-6,8,14H2,1-2H3,(H,16,19)
InChIKeyRHNVIGURLCLDNA-UHFFFAOYSA-N
XLogP0.73
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide (CID 119572968) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide is Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide?
The InChIKey is RHNVIGURLCLDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9-15-11(18(20)21)7-17(9)6-5-12(19)16-13(2,8-14)10-3-4-10/h7,10H,3-6,8,14H2,1-2H3,(H,16,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide is sourced from PubChem (CID 119572968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).