(2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide

C21H34N4O4 — CID 59885903

IUPAC(2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide
SMILESCc1ccc(CCC(C)(C)C(=O)N(C)[C@H](CCCCNC(N)=O)C(=O)NO)cc1
InChIInChI=1S/C21H34N4O4/c1-15-8-10-16(11-9-15)12-13-21(2,3)19(27)25(4)17(18(26)24-29)7-5-6-14-23-20(22)28/h8-11,17,29H,5-7,12-14H2,1-4H3,(H,24,26)(H3,22,23,28)/t17-/m1/s1
InChIKeyUEUYXWDWGWIGKK-QGZVFWFLSA-N
MW406.53 g/mol
LogP2.12
Rot. Bonds11

About (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide

(2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide (PubChem CID 59885903) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide
PubChem CID59885903
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Name(2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide
SMILESCc1ccc(CCC(C)(C)C(=O)N(C)[C@H](CCCCNC(N)=O)C(=O)NO)cc1
InChIInChI=1S/C21H34N4O4/c1-15-8-10-16(11-9-15)12-13-21(2,3)19(27)25(4)17(18(26)24-29)7-5-6-14-23-20(22)28/h8-11,17,29H,5-7,12-14H2,1-4H3,(H,24,26)(H3,22,23,28)/t17-/m1/s1
InChIKeyUEUYXWDWGWIGKK-QGZVFWFLSA-N
XLogP2.12
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide (CID 59885903) is (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide is Cc1ccc(CCC(C)(C)C(=O)N(C)[C@H](CCCCNC(N)=O)C(=O)NO)cc1.
What is the InChIKey of (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide?
The InChIKey is UEUYXWDWGWIGKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-15-8-10-16(11-9-15)12-13-21(2,3)19(27)25(4)17(18(26)24-29)7-5-6-14-23-20(22)28/h8-11,17,29H,5-7,12-14H2,1-4H3,(H,24,26)(H3,22,23,28)/t17-/m1/s1.
What are the key properties of (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide?
(2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide has a molecular weight of 406.53 g/mol, XLogP of 2.12, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 59885903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).