N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide

C20H23N3O5 — CID 17220867

IUPACN-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O5/c1-14(2)28-17-6-3-15(4-7-17)20(24)21-18-8-5-16(23(25)26)13-19(18)22-9-11-27-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeySBILIGPZHRHJDX-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.47
Rot. Bonds6

About N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide

N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide (PubChem CID 17220867) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
PubChem CID17220867
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O5/c1-14(2)28-17-6-3-15(4-7-17)20(24)21-18-8-5-16(23(25)26)13-19(18)22-9-11-27-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeySBILIGPZHRHJDX-UHFFFAOYSA-N
XLogP3.47
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.47
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-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
3-butoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220869
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770
N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
CID 2973346
N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 141225866
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide (CID 17220867) is N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide?
The InChIKey is SBILIGPZHRHJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-14(2)28-17-6-3-15(4-7-17)20(24)21-18-8-5-16(23(25)26)13-19(18)22-9-11-27-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide?
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide has a molecular weight of 385.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17220867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).