N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide

C27H27N3O5 — CID 87915969

IUPACN-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cc(-c3ccc(C(=O)NO)cc3)c2)c(C)c1
InChIInChI=1S/C27H27N3O5/c1-17-13-23(35-2)9-10-24(17)26(32)28-22-15-20(18-5-7-19(8-6-18)25(31)29-34)14-21(16-22)27(33)30-11-3-4-12-30/h5-10,13-16,34H,3-4,11-12H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyZDAFQIPAXZCLFM-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.28
Rot. Bonds6

About N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide

N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide (PubChem CID 87915969) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide
PubChem CID87915969
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cc(-c3ccc(C(=O)NO)cc3)c2)c(C)c1
InChIInChI=1S/C27H27N3O5/c1-17-13-23(35-2)9-10-24(17)26(32)28-22-15-20(18-5-7-19(8-6-18)25(31)29-34)14-21(16-22)27(33)30-11-3-4-12-30/h5-10,13-16,34H,3-4,11-12H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyZDAFQIPAXZCLFM-UHFFFAOYSA-N
XLogP4.28
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[3-[(4-methoxybenzoyl)amino]-5-(morpholine-4-carbonyl)phenyl]benzamide
CID 10217375
N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide
CID 87916077
methyl 1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxylate
CID 87916116
1-[3-[4-(hydroxycarbamoyl)phenyl]-5-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 87915983
3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
CID 164625810
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-5-[(4-methylbenzoyl)amino]benzamide
CID 87916092
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
methyl 2-[4-(azepane-1-carbonyl)phenyl]-5-methoxybenzoate
CID 118772454
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide (CID 87915969) is N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cc(-c3ccc(C(=O)NO)cc3)c2)c(C)c1.
What is the InChIKey of N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide?
The InChIKey is ZDAFQIPAXZCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-17-13-23(35-2)9-10-24(17)26(32)28-22-15-20(18-5-7-19(8-6-18)25(31)29-34)14-21(16-22)27(33)30-11-3-4-12-30/h5-10,13-16,34H,3-4,11-12H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide?
N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide has a molecular weight of 473.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 87915969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).