N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide

C13H16N2O4 — CID 106592073

IUPACN-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)NC1CC(O)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H16N2O4/c1-8(13(17)14-10-6-12(16)7-10)9-3-2-4-11(5-9)15(18)19/h2-5,8,10,12,16H,6-7H2,1H3,(H,14,17)
InChIKeyYRUATKISPAPVPV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.34
Rot. Bonds4

About N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide

N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide (PubChem CID 106592073) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
PubChem CID106592073
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)NC1CC(O)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H16N2O4/c1-8(13(17)14-10-6-12(16)7-10)9-3-2-4-11(5-9)15(18)19/h2-5,8,10,12,16H,6-7H2,1H3,(H,14,17)
InChIKeyYRUATKISPAPVPV-UHFFFAOYSA-N
XLogP1.34
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.34
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'}

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide
CID 106592126
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
CID 106592010
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(3-nitrophenyl)propan-1-one
CID 106592083
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
1-N-[1-(3-nitrophenyl)ethyl]cyclobutane-1,3-diamine
CID 80560865
N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592058
3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
CID 64752209

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide (CID 106592073) is N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide is CC(C(=O)NC1CC(O)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide?
The InChIKey is YRUATKISPAPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(13(17)14-10-6-12(16)7-10)9-3-2-4-11(5-9)15(18)19/h2-5,8,10,12,16H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide?
N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide has a molecular weight of 264.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106592073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).