4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide

C14H19N3O3 — CID 82990994

IUPAC4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(NC(C)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-3-15-14(18)11-6-7-12(13(8-11)17(19)20)16-9(2)10-4-5-10/h6-10,16H,3-5H2,1-2H3,(H,15,18)
InChIKeyMQOGYFVQKKSYQJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.55
Rot. Bonds6

About 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide

4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide (PubChem CID 82990994) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide
PubChem CID82990994
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(NC(C)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-3-15-14(18)11-6-7-12(13(8-11)17(19)20)16-9(2)10-4-5-10/h6-10,16H,3-5H2,1-2H3,(H,15,18)
InChIKeyMQOGYFVQKKSYQJ-UHFFFAOYSA-N
XLogP2.55
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
CID 115766672
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
N-ethyl-3-nitro-4-(pentan-2-ylamino)benzamide
CID 82990993
N-ethyl-4-(1-hydroxybutan-2-ylamino)-3-nitrobenzamide
CID 82989906
3-nitro-4-[1-(oxan-4-yl)ethylamino]-N-propan-2-ylbenzamide
CID 133366227
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
N-ethyl-4-(2-methylpropylamino)-3-nitrobenzamide
CID 82993350
4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide
CID 82991749
3-[4-(ethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82991232
4-[(2-aminocyclopropyl)amino]-N-ethyl-3-nitrobenzamide
CID 82990452
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969779
N-ethyl-3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
CID 94459880

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide?
The IUPAC name of 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide (CID 82990994) is 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide?
The canonical SMILES for 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide is CCNC(=O)c1ccc(NC(C)C2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide?
The InChIKey is MQOGYFVQKKSYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-15-14(18)11-6-7-12(13(8-11)17(19)20)16-9(2)10-4-5-10/h6-10,16H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide?
4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide is sourced from PubChem (CID 82990994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).