N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride

C13H20ClN3O4 — CID 120653870

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)COc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-3-14-10(2)8-15-13(17)9-20-12-7-5-4-6-11(12)16(18)19;/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,17);1H/t10-;/m1./s1
InChIKeyFMAPQQMGSGHGHD-HNCPQSOCSA-N
MW317.77 g/mol
LogP1.51
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride (PubChem CID 120653870) has the molecular formula C13H20ClN3O4 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
PubChem CID120653870
Molecular FormulaC13H20ClN3O4
Molecular Weight317.77 g/mol
Exact Mass317.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)COc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-3-14-10(2)8-15-13(17)9-20-12-7-5-4-6-11(12)16(18)19;/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,17);1H/t10-;/m1./s1
InChIKeyFMAPQQMGSGHGHD-HNCPQSOCSA-N
XLogP1.51
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 51.51
H-Bond Donors ≤ 52
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

N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-nitrophenoxy)acetamide
CID 7819293
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7858942
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 7916925
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 119606865
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride (CID 120653870) is N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride is CCN[C@H](C)CNC(=O)COc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride?
The InChIKey is FMAPQQMGSGHGHD-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H19N3O4.ClH/c1-3-14-10(2)8-15-13(17)9-20-12-7-5-4-6-11(12)16(18)19;/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,17);1H/t10-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120653870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).