6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide

C33H34N2O3 — CID 57412118

IUPAC6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc2c1-c1ccccc1C2)NO
InChIInChI=1S/C33H34N2O3/c36-32(34-37)19-5-2-8-20-35(23-25-11-9-17-30(21-25)38-29-15-3-1-4-16-29)24-28-14-10-13-27-22-26-12-6-7-18-31(26)33(27)28/h1,3-4,6-7,9-18,21,37H,2,5,8,19-20,22-24H2,(H,34,36)
InChIKeyDTOBZGZFWNTOFP-UHFFFAOYSA-N
MW506.65 g/mol
LogP7.12
Rot. Bonds12

About 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide

6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide (PubChem CID 57412118) has the molecular formula C33H34N2O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide
PubChem CID57412118
Molecular FormulaC33H34N2O3
Molecular Weight506.65 g/mol
Exact Mass506.26
IUPAC Name6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc2c1-c1ccccc1C2)NO
InChIInChI=1S/C33H34N2O3/c36-32(34-37)19-5-2-8-20-35(23-25-11-9-17-30(21-25)38-29-15-3-1-4-16-29)24-28-14-10-13-27-22-26-12-6-7-18-31(26)33(27)28/h1,3-4,6-7,9-18,21,37H,2,5,8,19-20,22-24H2,(H,34,36)
InChIKeyDTOBZGZFWNTOFP-UHFFFAOYSA-N
XLogP7.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 57.12
H-Bond Donors ≤ 52
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

3-[(4-fluorophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid
CID 23856943
4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine
CID 23907951
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
3-[benzyl-[(3-phenoxyphenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;hydrochloride
CID 67179874
4-(dibenzylamino)butanehydrazide
CID 130159101
methyl 3-[[4-[2-(dibenzylamino)ethoxy]benzoyl]-[(3-phenoxyphenyl)methyl]amino]propanoate
CID 66912637
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
(E)-18-(dibenzylamino)octadec-12-enoic acid
CID 18512777
N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598

Frequently Asked Questions

What is the IUPAC name of 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide (CID 57412118) is 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide is O=C(CCCCCN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc2c1-c1ccccc1C2)NO.
What is the InChIKey of 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide?
The InChIKey is DTOBZGZFWNTOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O3/c36-32(34-37)19-5-2-8-20-35(23-25-11-9-17-30(21-25)38-29-15-3-1-4-16-29)24-28-14-10-13-27-22-26-12-6-7-18-31(26)33(27)28/h1,3-4,6-7,9-18,21,37H,2,5,8,19-20,22-24H2,(H,34,36).
What are the key properties of 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide?
6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide has a molecular weight of 506.65 g/mol, XLogP of 7.12, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9H-fluoren-4-ylmethyl-[(3-phenoxyphenyl)methyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 57412118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).