(2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide

C27H32N4O4 — CID 52942455

IUPAC(2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C27H32N4O4/c1-31(2)21-17-15-20(16-18-21)26(33)29-24(12-4-3-5-14-25(32)30-35)27(34)28-23-13-8-10-19-9-6-7-11-22(19)23/h6-11,13,15-18,24,35H,3-5,12,14H2,1-2H3,(H,28,34)(H,29,33)(H,30,32)/t24-/m0/s1
InChIKeyCROLZPFWFZDPNN-DEOSSOPVSA-N
MW476.58 g/mol
LogP4.10
Rot. Bonds11

About (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide

(2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide (PubChem CID 52942455) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide.

Molecular Properties

Compound Name(2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide
PubChem CID52942455
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name(2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C27H32N4O4/c1-31(2)21-17-15-20(16-18-21)26(33)29-24(12-4-3-5-14-25(32)30-35)27(34)28-23-13-8-10-19-9-6-7-11-22(19)23/h6-11,13,15-18,24,35H,3-5,12,14H2,1-2H3,(H,28,34)(H,29,33)(H,30,32)/t24-/m0/s1
InChIKeyCROLZPFWFZDPNN-DEOSSOPVSA-N
XLogP4.10
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide?
The IUPAC name of (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide (CID 52942455) is (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide.
What is the SMILES notation for (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide?
The canonical SMILES for (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide is CN(C)c1ccc(C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide?
The InChIKey is CROLZPFWFZDPNN-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-31(2)21-17-15-20(16-18-21)26(33)29-24(12-4-3-5-14-25(32)30-35)27(34)28-23-13-8-10-19-9-6-7-11-22(19)23/h6-11,13,15-18,24,35H,3-5,12,14H2,1-2H3,(H,28,34)(H,29,33)(H,30,32)/t24-/m0/s1.
What are the key properties of (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide?
(2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide has a molecular weight of 476.58 g/mol, XLogP of 4.10, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(dimethylamino)benzoyl]amino]-N'-hydroxy-N-naphthalen-1-yloctanediamide is sourced from PubChem (CID 52942455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).