N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide

C15H21N3O4 — CID 111331433

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])NCC1(O)CCCC1
InChIInChI=1S/C15H21N3O4/c19-14(17-11-15(20)8-3-4-9-15)7-10-16-12-5-1-2-6-13(12)18(21)22/h1-2,5-6,16,20H,3-4,7-11H2,(H,17,19)
InChIKeyFBONNTPTXPMIOF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.82
Rot. Bonds7

About N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide

N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide (PubChem CID 111331433) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide
PubChem CID111331433
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])NCC1(O)CCCC1
InChIInChI=1S/C15H21N3O4/c19-14(17-11-15(20)8-3-4-9-15)7-10-16-12-5-1-2-6-13(12)18(21)22/h1-2,5-6,16,20H,3-4,7-11H2,(H,17,19)
InChIKeyFBONNTPTXPMIOF-UHFFFAOYSA-N
XLogP1.82
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[1-[3-(2-nitroanilino)propanoylamino]cyclobutyl]acetic acid
CID 119217311
N-[(4-methylphenyl)methyl]-3-(2-nitroanilino)propanamide
CID 16797640
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 115668936
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
3-(2-nitroanilino)-N-(3-phenoxypropyl)propanamide
CID 51328724
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2-nitroanilino)propanamide
CID 51328296
N-[2-(aminomethyl)cyclohexyl]-3-(2-nitroanilino)propanamide;hydrochloride
CID 119609788
N-ethoxy-3-(2-nitroanilino)propanamide
CID 51337314
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-nitroanilino)propanamide
CID 51537803
N-(3-bromophenyl)-3-(2-nitroanilino)propanamide
CID 16620730
2-methylidene-4-(2-nitroanilino)butanoic acid
CID 23139707

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide (CID 111331433) is N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide is O=C(CCNc1ccccc1[N+](=O)[O-])NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide?
The InChIKey is FBONNTPTXPMIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-14(17-11-15(20)8-3-4-9-15)7-10-16-12-5-1-2-6-13(12)18(21)22/h1-2,5-6,16,20H,3-4,7-11H2,(H,17,19).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide?
N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide has a molecular weight of 307.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 111331433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).