N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide

C19H20N2O4 — CID 122138174

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide
SMILESO=C(CCc1cccc([N+](=O)[O-])c1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C19H20N2O4/c22-18(9-8-14-4-3-6-16(12-14)21(24)25)20-13-19(23)11-10-15-5-1-2-7-17(15)19/h1-7,12,23H,8-11,13H2,(H,20,22)
InChIKeyXTYHPKLGOWYWFY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.48
Rot. Bonds6

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide (PubChem CID 122138174) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide
PubChem CID122138174
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide
SMILESO=C(CCc1cccc([N+](=O)[O-])c1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C19H20N2O4/c22-18(9-8-14-4-3-6-16(12-14)21(24)25)20-13-19(23)11-10-15-5-1-2-7-17(15)19/h1-7,12,23H,8-11,13H2,(H,20,22)
InChIKeyXTYHPKLGOWYWFY-UHFFFAOYSA-N
XLogP2.48
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.48
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)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(3-nitrophenyl)propanamide
CID 124594849
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide
CID 71848857
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide
CID 95983109
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321
1-[[(2-hydroxy-5-nitrophenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110367
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
N-[(2S)-1-aminopropan-2-yl]-3-(3-nitrophenyl)propanamide
CID 120505135
3-(3-aminophenyl)-N-(3-nitrophenyl)propanamide
CID 115341147

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide (CID 122138174) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide is O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide?
The InChIKey is XTYHPKLGOWYWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(9-8-14-4-3-6-16(12-14)21(24)25)20-13-19(23)11-10-15-5-1-2-7-17(15)19/h1-7,12,23H,8-11,13H2,(H,20,22).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide is sourced from PubChem (CID 122138174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).