N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide

C24H29N3O6 — CID 93338201

IUPACN-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide
SMILESCC[C@@H](C)N(C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1)C(=O)c1ccccc1OC
InChIInChI=1S/C24H29N3O6/c1-4-17(2)26(24(29)21-7-5-6-8-22(21)32-3)16-20-15-25(13-14-33-20)23(28)18-9-11-19(12-10-18)27(30)31/h5-12,17,20H,4,13-16H2,1-3H3/t17-,20-/m1/s1
InChIKeyFKPMDSVOJDHQNO-YLJYHZDGSA-N
MW455.51 g/mol
LogP3.39
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide

N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide (PubChem CID 93338201) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide
PubChem CID93338201
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC NameN-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide
SMILESCC[C@@H](C)N(C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1)C(=O)c1ccccc1OC
InChIInChI=1S/C24H29N3O6/c1-4-17(2)26(24(29)21-7-5-6-8-22(21)32-3)16-20-15-25(13-14-33-20)23(28)18-9-11-19(12-10-18)27(30)31/h5-12,17,20H,4,13-16H2,1-3H3/t17-,20-/m1/s1
InChIKeyFKPMDSVOJDHQNO-YLJYHZDGSA-N
XLogP3.39
TPSA102.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.39
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-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 99731099
N-[(2S)-butan-2-yl]-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 99731101
N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862225
N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862268
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
[2-(hydroxymethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104783712
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104784771
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide (CID 93338201) is N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide is CC[C@@H](C)N(C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1)C(=O)c1ccccc1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is FKPMDSVOJDHQNO-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-4-17(2)26(24(29)21-7-5-6-8-22(21)32-3)16-20-15-25(13-14-33-20)23(28)18-9-11-19(12-10-18)27(30)31/h5-12,17,20H,4,13-16H2,1-3H3/t17-,20-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide?
N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 455.51 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 93338201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).