N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide

C14H18N2O5 — CID 81395443

IUPACN-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide
SMILESCCOc1cccc([N+](=O)[O-])c1C(=O)N(CCO)C1CC1
InChIInChI=1S/C14H18N2O5/c1-2-21-12-5-3-4-11(16(19)20)13(12)14(18)15(8-9-17)10-6-7-10/h3-5,10,17H,2,6-9H2,1H3
InChIKeyDYWOOYGKIDHMFK-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.59
Rot. Bonds7

About N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide

N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide (PubChem CID 81395443) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide
PubChem CID81395443
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide
SMILESCCOc1cccc([N+](=O)[O-])c1C(=O)N(CCO)C1CC1
InChIInChI=1S/C14H18N2O5/c1-2-21-12-5-3-4-11(16(19)20)13(12)14(18)15(8-9-17)10-6-7-10/h3-5,10,17H,2,6-9H2,1H3
InChIKeyDYWOOYGKIDHMFK-UHFFFAOYSA-N
XLogP1.59
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
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-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
4-(2-acetyl-3-nitrophenoxy)-N-cyclohexyl-N-(2-hydroxyethyl)butanamide
CID 56975085
2-chloro-N-(2-chloroethyl)-N-cyclopropyl-6-nitrobenzamide
CID 63658270
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxy-6-nitrobenzamide
CID 106168192
2-ethoxy-N-(2-hydroxy-2-methylpropyl)-6-nitrobenzamide
CID 81414197
3-[(2-ethoxy-6-nitrobenzoyl)amino]propanoic acid
CID 81421028
2-ethoxy-N-(5-hydroxypentan-2-yl)-6-nitrobenzamide
CID 81396003
3-(N-cyclobutyl-3-ethoxy-2-nitroanilino)propan-1-ol
CID 102868498
N-(3-bromopropyl)-N-cyclobutyl-2-methyl-6-nitrobenzamide
CID 102872397
N-(azetidin-3-yl)-2-chloro-N-ethyl-6-nitrobenzamide
CID 66184247
N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
2-(2-ethoxy-6-nitrophenyl)acetic acid
CID 84689611

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide?
The IUPAC name of N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide (CID 81395443) is N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide is CCOc1cccc([N+](=O)[O-])c1C(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide?
The InChIKey is DYWOOYGKIDHMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-21-12-5-3-4-11(16(19)20)13(12)14(18)15(8-9-17)10-6-7-10/h3-5,10,17H,2,6-9H2,1H3.
What are the key properties of N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide?
N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide has a molecular weight of 294.31 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethoxy-N-(2-hydroxyethyl)-6-nitrobenzamide is sourced from PubChem (CID 81395443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).