N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide

C22H23N3O5 — CID 3062049

IUPACN-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N(C(=O)CN1CCOCC1)C1CC1
InChIInChI=1S/C22H23N3O5/c26-21(15-23-10-12-30-13-11-23)24(17-6-7-17)20-9-8-18(25(28)29)14-19(20)22(27)16-4-2-1-3-5-16/h1-5,8-9,14,17H,6-7,10-13,15H2
InChIKeySPDPKQYXYMCPRX-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.65
Rot. Bonds7

About N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide

N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide (PubChem CID 3062049) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide
PubChem CID3062049
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N(C(=O)CN1CCOCC1)C1CC1
InChIInChI=1S/C22H23N3O5/c26-21(15-23-10-12-30-13-11-23)24(17-6-7-17)20-9-8-18(25(28)29)14-19(20)22(27)16-4-2-1-3-5-16/h1-5,8-9,14,17H,6-7,10-13,15H2
InChIKeySPDPKQYXYMCPRX-UHFFFAOYSA-N
XLogP2.65
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
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

N-(2-benzoyl-4-nitrophenyl)-2-bromo-N-carbamoylacetamide
CID 71396931
N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide
CID 154294661
N-(2-benzoyl-4-nitrophenyl)-2,2,2-trichloro-N-(oxolan-2-ylmethyl)acetamide
CID 21327532
2-[methyl(oxolan-3-yl)amino]-5-nitrobenzoic acid
CID 82740438
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
(2-cyclohexyl-4-nitrophenyl)-phenylmethanone
CID 151612232
2-[cyclopropyl(2-hydroxyethyl)amino]-5-nitrobenzoic acid
CID 54994781
2-[cyclopentyl(methyl)amino]-5-nitrobenzoic acid
CID 43213288
[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
CID 168528552
N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide
CID 2943819
2-methyl-N-(2-morpholin-4-ylethyl)-3,5-dinitro-N-phenylbenzamide
CID 60622382
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide (CID 3062049) is N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide is O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N(C(=O)CN1CCOCC1)C1CC1.
What is the InChIKey of N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide?
The InChIKey is SPDPKQYXYMCPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c26-21(15-23-10-12-30-13-11-23)24(17-6-7-17)20-9-8-18(25(28)29)14-19(20)22(27)16-4-2-1-3-5-16/h1-5,8-9,14,17H,6-7,10-13,15H2.
What are the key properties of N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide?
N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide has a molecular weight of 409.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3062049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).