N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide

C19H23N3O5 — CID 18110242

IUPACN-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O5/c1-14(4-6-16-3-2-10-27-16)20-19(23)15-5-7-17(18(13-15)22(24)25)21-8-11-26-12-9-21/h2-3,5,7,10,13-14H,4,6,8-9,11-12H2,1H3,(H,20,23)
InChIKeyWVWPOXQWTHAXSY-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.78
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide

N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 18110242) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID18110242
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O5/c1-14(4-6-16-3-2-10-27-16)20-19(23)15-5-7-17(18(13-15)22(24)25)21-8-11-26-12-9-21/h2-3,5,7,10,13-14H,4,6,8-9,11-12H2,1H3,(H,20,23)
InChIKeyWVWPOXQWTHAXSY-UHFFFAOYSA-N
XLogP2.78
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(cyclopropylamino)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-nitrobenzamide
CID 9141880
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-morpholin-4-ylbenzamide
CID 95132894
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
N-(2-butan-2-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 4812370
N-cyclopropyl-4-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-3-nitrobenzamide
CID 41038143
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
CID 4806694
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide (CID 18110242) is N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide is CC(CCc1ccco1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is WVWPOXQWTHAXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-14(4-6-16-3-2-10-27-16)20-19(23)15-5-7-17(18(13-15)22(24)25)21-8-11-26-12-9-21/h2-3,5,7,10,13-14H,4,6,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 373.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 18110242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).