N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide

C19H23N3O4 — CID 4951209

IUPACN-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H23N3O4/c1-4-21(5-2)16-8-6-15(7-9-16)20-19(23)14(3)26-18-12-10-17(11-13-18)22(24)25/h6-14H,4-5H2,1-3H3,(H,20,23)
InChIKeyVVTCDMBKFYHBNQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.85
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide

N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide (PubChem CID 4951209) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
PubChem CID4951209
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H23N3O4/c1-4-21(5-2)16-8-6-15(7-9-16)20-19(23)14(3)26-18-12-10-17(11-13-18)22(24)25/h6-14H,4-5H2,1-3H3,(H,20,23)
InChIKeyVVTCDMBKFYHBNQ-UHFFFAOYSA-N
XLogP3.85
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
propyl 4-[2-(4-nitrophenoxy)propanoylamino]benzoate
CID 4951235
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233582
N-[4-methyl-3-(propanoylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 46761075

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide (CID 4951209) is N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide is CCN(CC)c1ccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide?
The InChIKey is VVTCDMBKFYHBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-21(5-2)16-8-6-15(7-9-16)20-19(23)14(3)26-18-12-10-17(11-13-18)22(24)25/h6-14H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide?
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide has a molecular weight of 357.41 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 4951209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).