N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide

C15H20N2O4 — CID 106592126

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)N[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10(11-5-4-6-12(9-11)17(20)21)15(19)16-13-7-2-3-8-14(13)18/h4-6,9-10,13-14,18H,2-3,7-8H2,1H3,(H,16,19)/t10?,13-,14-/m1/s1
InChIKeyBXHPJXNJBMNGPF-WDEVSDKISA-N
MW292.33 g/mol
LogP2.12
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide (PubChem CID 106592126) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide
PubChem CID106592126
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)N[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10(11-5-4-6-12(9-11)17(20)21)15(19)16-13-7-2-3-8-14(13)18/h4-6,9-10,13-14,18H,2-3,7-8H2,1H3,(H,16,19)/t10?,13-,14-/m1/s1
InChIKeyBXHPJXNJBMNGPF-WDEVSDKISA-N
XLogP2.12
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.12
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-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
CID 106592073
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
1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8561058
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
CID 106592010
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(3-nitrophenyl)propan-1-one
CID 106592083
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide (CID 106592126) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide is CC(C(=O)N[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide?
The InChIKey is BXHPJXNJBMNGPF-WDEVSDKISA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(11-5-4-6-12(9-11)17(20)21)15(19)16-13-7-2-3-8-14(13)18/h4-6,9-10,13-14,18H,2-3,7-8H2,1H3,(H,16,19)/t10?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide has a molecular weight of 292.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106592126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).