4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide

C17H25ClN2O3 — CID 35513680

IUPAC4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCOCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-12(2)11-15(17(22)19-9-4-10-23-3)20-16(21)13-5-7-14(18)8-6-13/h5-8,12,15H,4,9-11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyJUABKKKGOPEVNG-OAHLLOKOSA-N
MW340.85 g/mol
LogP2.64
Rot. Bonds9

About 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide

4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 35513680) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID35513680
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCOCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-12(2)11-15(17(22)19-9-4-10-23-3)20-16(21)13-5-7-14(18)8-6-13/h5-8,12,15H,4,9-11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyJUABKKKGOPEVNG-OAHLLOKOSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
CID 9300609
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
4-chloro-N-[(2R)-3-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)butan-2-yl]benzamide
CID 2510831
3-cyanopropyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 55355112
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
CID 55554912
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-chloro-N-[2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 3103413
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 35513680) is 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide is COCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is JUABKKKGOPEVNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12(2)11-15(17(22)19-9-4-10-23-3)20-16(21)13-5-7-14(18)8-6-13/h5-8,12,15H,4,9-11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 340.85 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 35513680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).