2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide

C14H21N3O4 — CID 62014044

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
SMILESCC(C)N(CCCO)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-11(2)16(8-5-9-18)10-14(19)15-12-6-3-4-7-13(12)17(20)21/h3-4,6-7,11,18H,5,8-10H2,1-2H3,(H,15,19)
InChIKeyJTNJVWSYUUAKPH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.63
Rot. Bonds8

About 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide

2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide (PubChem CID 62014044) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
PubChem CID62014044
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
SMILESCC(C)N(CCCO)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-11(2)16(8-5-9-18)10-14(19)15-12-6-3-4-7-13(12)17(20)21/h3-4,6-7,11,18H,5,8-10H2,1-2H3,(H,15,19)
InChIKeyJTNJVWSYUUAKPH-UHFFFAOYSA-N
XLogP1.63
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.63
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

2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2-nitrophenyl)acetamide
CID 86866949
2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide
CID 110877217
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
CID 31013542
2-[[2-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(4-nitrophenyl)acetamide
CID 60691484
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
2-(diethylamino)-4-(2-nitroanilino)-4-oxobutanoic acid
CID 18858450
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
3-[[2-(ethylamino)-3-nitrophenyl]methyl-propan-2-ylamino]propan-1-ol
CID 107351214
2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide
CID 56514550
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-nitrophenyl)ethanone
CID 62029393

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide (CID 62014044) is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide is CC(C)N(CCCO)CC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide?
The InChIKey is JTNJVWSYUUAKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-11(2)16(8-5-9-18)10-14(19)15-12-6-3-4-7-13(12)17(20)21/h3-4,6-7,11,18H,5,8-10H2,1-2H3,(H,15,19).
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide?
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 62014044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).