(2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide

C22H35N3O4 — CID 10573362

IUPAC(2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide
SMILESCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C22H35N3O4/c1-3-4-5-6-7-8-10-15-18(16-19(26)25-29)21(27)24-20(22(28)23-2)17-13-11-9-12-14-17/h9,11-14,18,20,29H,3-8,10,15-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,20+/m1/s1
InChIKeyGJLVFYXHGPXLCC-QUCCMNQESA-N
MW405.54 g/mol
LogP3.24
Rot. Bonds14

About (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide

(2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide (PubChem CID 10573362) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide
PubChem CID10573362
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Name(2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide
SMILESCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C22H35N3O4/c1-3-4-5-6-7-8-10-15-18(16-19(26)25-29)21(27)24-20(22(28)23-2)17-13-11-9-12-14-17/h9,11-14,18,20,29H,3-8,10,15-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,20+/m1/s1
InChIKeyGJLVFYXHGPXLCC-QUCCMNQESA-N
XLogP3.24
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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UK-356618
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N-[(3R,6S,9S,12R)-9-[3-(diaminomethylideneamino)propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetrazacyclohexadec-12-yl]-2-methylpropanamide
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Leucyl-phenylalanine amide
CID 3082491
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
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GI254023X
CID 9952396

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide (CID 10573362) is (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide is CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)c1ccccc1.
What is the InChIKey of (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide?
The InChIKey is GJLVFYXHGPXLCC-QUCCMNQESA-N. The full InChI is InChI=1S/C22H35N3O4/c1-3-4-5-6-7-8-10-15-18(16-19(26)25-29)21(27)24-20(22(28)23-2)17-13-11-9-12-14-17/h9,11-14,18,20,29H,3-8,10,15-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,20+/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide?
(2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide has a molecular weight of 405.54 g/mol, XLogP of 3.24, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-nonylbutanediamide is sourced from PubChem (CID 10573362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).